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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)CC4=CC=CC=C4

InChI

InChI=1S/C24H20N4S/c1-18-8-7-13-22(14-18)28-23(15-19-9-3-2-4-10-19)26-27-24(28)29-17-21-12-6-5-11-20(21)16-25/h2-14H,15,17H2,1H3