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

Systemtic Name: 2-[(4-methyl-5-oxidanylidene-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzenecarbonitrile Openeye Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzonitrile CAS Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzonitrile IUPAC Name: 2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-(trifluoromethyl)benzonitrile Traditional Name: 2-[(5-keto-4-methyl-1H-1,2,4-triazol-3-yl)thio]-4-(trifluoromethyl)benzonitrile Formula: C11H7F3N4OS MolecularWeight: 300.25969

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)NN=C1SC2=C(C=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

CN1C(=O)NN=C1SC2=C(C=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C11H7F3N4OS/c1-18-9(19)16-17-10(18)20-8-4-7(11(12,13)14)3-2-6(8)5-15/h2-4H,1H3,(H,16,19)