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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-(4-chlorophenyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-(4-chlorophenyl)-4-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-(4-chlorophenyl)-4-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H17ClN4S MolecularWeight: 416.92588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H17ClN4S/c1-16-5-4-8-21(13-16)28-22(17-9-11-20(24)12-10-17)26-27-23(28)29-15-19-7-3-2-6-18(19)14-25/h2-13H,15H2,1H3