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

Systemtic Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 2-[[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 2-[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 2-[[(5-cyclohexyl-4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C22H22N4S MolecularWeight: 374.50188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

Isomeric SMILES

C1CCC(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC4=CC=CC=C4C#N

InChI

InChI=1S/C22H22N4S/c23-15-18-11-7-8-12-19(18)16-27-22-25-24-21(17-9-3-1-4-10-17)26(22)20-13-5-2-6-14-20/h2,5-8,11-14,17H,1,3-4,9-10,16H2