4-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)benzenecarbonitrile

Systemtic Name: 4-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)benzenecarbonitrile Openeye Name: 4-(1-methyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl)benzonitrile CAS Name: 4-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)benzonitrile IUPAC Name: 4-(1-methyl-4-phenyl-5-sulfanylidene-1,2,4-triazol-3-yl)benzonitrile Traditional Name: 4-(1-methyl-4-phenyl-5-thioxo-1,2,4-triazol-3-yl)benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C#N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=S)N(C(=N1)C2=CC=C(C=C2)C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H12N4S/c1-19-16(21)20(14-5-3-2-4-6-14)15(18-19)13-9-7-12(11-17)8-10-13/h2-10H,1H3