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2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one

UUID 65ed615a-0c8e-4492-a0b8-d52933e0eef1
Deprecated yes
Replaced By bb3827cb-c29d-428e-a145-de2c4a18636c
Flow Object IDfo-db02f1cce462198c
Source EF 3.1
Context Environmental → Water → Unknown
CAS Numbers 69327-76-0
prefLabel
Language Value Provenance
en 2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
altLabel ⓘ
Language Value Provenance
en (2Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
en (2Z)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
en (Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one
en (Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
en (Z)-buprofezin
en 2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one
en 2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4<em>H</em>-1,3,5-thiadiazin-4-one
en 4<em>H</em>-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-
en Applaud
en Applaud 40SC
en Courier
en NNI 750
en Stater
en Talus
en Buprofezin
Definitions
Language Value Provenance
en A 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has Z configuration.
References
Shared Properties
Predicate Value
Formal charge 0
InChIKey PRLVTUNWOQKEAI-UHFFFAOYSA-N, PRLVTUNWOQKEAI-VKAVYKQESA-N
InChI InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3, InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3/b17-14-
IUPAC name 2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one, 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Molecular formula C16H23N3OS
Molecular mass 305.447
Monoisotopic mass 305.15618
SMILES CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2, CC(C)N1C(=O)N(c2ccccc2)CS/C1=NC(C)(C)C, CC(C)N1C(=O)N(c2ccccc2)CSC1=NC(C)(C)C

Source List References

List Version Source Flow UUID Source Flow Name
EF 3.1 65ed615a-0c8e-4492-a0b8-d52933e0eef1 buprofezin

Consolidated Field Provenance

0 total PROV activity record(s) for this flow.

Field Change Count Latest Time Transformers Latest Comment
altLabel 1 — consensus_match group_key=buprofezin||dimension=Environmental > media=Ground > geography=Unknown; cas=69327-76-0; added Common Chemistry CAS names as altLabel: 2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4<em>H</em>-1,3,5-thiadiazin-4-one, 4<em>H</em>-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-, Applaud, Applaud 40SC, Courier, NNI 750, Stater, Talus; object_uuid=fo-db02f1cce462198c
cas_match_labels 1 — consensus_match group_key=buprofezin||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'69327-76-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db02f1cce462198c: {'69327-76-0': 'exactMatch'}

Context Attributes

AttributeValue
dimensionEnvironmental
mediaWater
water_bodyUnknown

Consensus Changes

Field Old Value New Value Comment
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{'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-buprofezin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-buprofezin', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_3218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_3218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}] [{'@value': '(2Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(2Z)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(2Z)-2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-2-tert-butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '(Z)-buprofezin', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:(Z)-buprofezin', 'http://purl.obolibrary.org/obo/CHEBI_39381', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(tert-butylimino)-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_3218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'chebi_altlabels', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['label:2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one', 'http://purl.obolibrary.org/obo/CHEBI_3218', 'EF 3.1'], 'prov:wasDerivedFrom': 'chebi synonym match'}}, {'@value': '2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4<em>H</em>-1,3,5-thiadiazin-4-one', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': '4<em>H</em>-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Applaud', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Applaud 40SC', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Courier', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'NNI 750', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Stater', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}, {'@value': 'Talus', '@language': 'en', 'source': {'prov:wasGeneratedBy': 'consensus_match', 'prov:wasAttributedTo': 'consensus-flow-list', 'prov:hadPrimarySource': ['CAS:69327-76-0', 'https://commonchemistry.cas.org/detail?cas_rn=69327-76-0'], 'prov:wasDerivedFrom': 'common chemistry CAS lookup'}}] group_key=buprofezin||dimension=Environmental > media=Ground > geography=Unknown; cas=69327-76-0; added Common Chemistry CAS names as altLabel: 2-[(1,1-Dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-4<em>H</em>-1,3,5-thiadiazin-4-one, 4<em>H</em>-1,3,5-Thiadiazin-4-one, 2-[(1,1-dimethylethyl)imino]tetrahydro-3-(1-methylethyl)-5-phenyl-, Applaud, Applaud 40SC, Courier, NNI 750, Stater, Talus; object_uuid=fo-db02f1cce462198c
cas_match_labels None {'69327-76-0': 'exactMatch'} group_key=buprofezin||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'pubchem']; cas_sources={'69327-76-0': ['chebi', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-db02f1cce462198c: {'69327-76-0': 'exactMatch'}

PROV-O Consensus Activity Trail

No PROV-O consensus activities found for this flow.

Full Flow JSON

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