N-(1-cyanocyclohexyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H30N6OS MolecularWeight: 438.5889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)N4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3(CCCCC3)C#N)N4CCCCC4

InChI

InChI=1S/C23H30N6OS/c1-18-8-10-19(11-9-18)29-21(28-14-6-3-7-15-28)26-27-22(29)31-16-20(30)25-23(17-24)12-4-2-5-13-23/h8-11H,2-7,12-16H2,1H3,(H,25,30)