4-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzenecarbonitrile

Systemtic Name: 4-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzenecarbonitrile Openeye Name: 4-(2-benzyl-3-thioxo-1H-1,2,4-triazol-5-yl)benzonitrile CAS Name: 4-[2-(phenylmethyl)-3-sulfanylidene-1H-1,2,4-triazol-5-yl]benzonitrile IUPAC Name: 4-(2-benzyl-3-sulfanylidene-1H-1,2,4-triazol-5-yl)benzonitrile Traditional Name: 4-(2-benzyl-3-thioxo-1H-1,2,4-triazol-5-yl)benzonitrile Formula: C16H12N4S MolecularWeight: 292.35828

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=S)N=C(N2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H12N4S/c17-10-12-6-8-14(9-7-12)15-18-16(21)20(19-15)11-13-4-2-1-3-5-13/h1-9H,11H2,(H,18,19,21)