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

Systemtic Name: 2-[4-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzenecarbonitrile Openeye Name: 2-[4-[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile CAS Name: 2-[4-[[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile IUPAC Name: 2-[4-[[4-methyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]phenyl]benzonitrile Traditional Name: 2-[4-[[[4-methyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]phenyl]benzonitrile Formula: C24H20N4S MolecularWeight: 396.5074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H20N4S/c1-17-6-5-8-20(14-17)23-26-27-24(28(23)2)29-16-18-10-12-19(13-11-18)22-9-4-3-7-21(22)15-25/h3-14H,16H2,1-2H3