2-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzenecarbonitrile

Systemtic Name: 2-[(1,4-dimethyl-5-oxidanylidene-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzonitrile CAS Name: 2-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzonitrile IUPAC Name: 2-[(1,4-dimethyl-5-oxo-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzonitrile Traditional Name: 2-[(5-keto-1,4-dimethyl-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzonitrile Formula: C12H9F3N4OS MolecularWeight: 314.28627

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)C)SC2=C(C=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CN1C(=NN(C1=O)C)SC2=C(C=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C12H9F3N4OS/c1-18-10(17-19(2)11(18)20)21-9-5-8(12(13,14)15)4-3-7(9)6-16/h3-5H,1-2H3