2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethanenitrile Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetonitrile IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C16H12N4S MolecularWeight: 292.35828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC#N

InChI

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