S-[[2-(trifluoromethyl)phenyl]sulfonylamino] 4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carbothioate

Systemtic Name: S-[[2-(trifluoromethyl)phenyl]sulfonylamino] 4-methyl-3-methylsulfanyl-5-oxidanylidene-1,2,4-triazole-1-carbothioate Openeye Name: S-[[2-(trifluoromethyl)phenyl]sulfonylamino] 4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carbothioate CAS Name: 4-methyl-3-(methylthio)-5-oxo-1,2,4-triazole-1-carbothioic acid S-[[2-(trifluoromethyl)phenyl]sulfonylamino] ester IUPAC Name: S-[[2-(trifluoromethyl)phenyl]sulfonylamino] 4-methyl-3-methylsulfanyl-5-oxo-1,2,4-triazole-1-carbothioate Traditional Name: 5-keto-4-methyl-3-(methylthio)-1,2,4-triazole-1-carbothioic acid S-[[2-(trifluoromethyl)phenyl]sulfonylamino] ester Formula: C12H11F3N4O4S3 MolecularWeight: 428.43035

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C(=O)SNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)SC

Isomeric SMILES

CN1C(=NN(C1=O)C(=O)SNS(=O)(=O)C2=CC=CC=C2C(F)(F)F)SC

InChI

InChI=1S/C12H11F3N4O4S3/c1-18-9(24-2)16-19(10(18)20)11(21)25-17-26(22,23)8-6-4-3-5-7(8)12(13,14)15/h3-6,17H,1-2H3