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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC3=CC=C(C=C3)C4=CC=CC=C4C#N

InChI

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