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

Systemtic Name: 4-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 4-[[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 4-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 4-[[[5-(m-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H18N4S MolecularWeight: 382.48082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H18N4S/c1-17-6-5-7-20(14-17)22-25-26-23(27(22)21-8-3-2-4-9-21)28-16-19-12-10-18(15-24)11-13-19/h2-14H,16H2,1H3