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

Systemtic Name: 2-[[5-cyclohexyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[[5-cyclohexyl-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile CAS Name: 2-[[[5-cyclohexyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile IUPAC Name: 2-[[5-cyclohexyl-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzonitrile Traditional Name: 2-[[[5-cyclohexyl-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]methyl]benzonitrile Formula: C23H24N4S MolecularWeight: 388.52846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC3=CC=CC=C3C#N)C4CCCCC4

InChI

InChI=1S/C23H24N4S/c1-17-11-13-21(14-12-17)27-22(18-7-3-2-4-8-18)25-26-23(27)28-16-20-10-6-5-9-19(20)15-24/h5-6,9-14,18H,2-4,7-8,16H2,1H3