2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(4,5-diphenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C22H16N4S MolecularWeight: 368.45424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H16N4S/c23-15-18-11-7-8-12-19(18)16-27-22-25-24-21(17-9-3-1-4-10-17)26(22)20-13-5-2-6-14-20/h1-14H,16H2