2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone

Systemtic Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Openeye Name: 1-(2-methyl-1-piperidyl)-2-[[5-(1-piperidyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(4-methylphenyl)-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-1-(2-methyl-1-piperidinyl)ethanone IUPAC Name: 2-[[4-(4-methylphenyl)-5-piperidin-1-yl-1,2,4-triazol-3-yl]sulfanyl]-1-(2-methylpiperidin-1-yl)ethanone Traditional Name: 1-(2-methylpiperidino)-2-[[5-piperidino-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C22H31N5OS MolecularWeight: 413.57944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCCCC4

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)N4CCCCC4

InChI

InChI=1S/C22H31N5OS/c1-17-9-11-19(12-10-17)27-21(25-13-5-3-6-14-25)23-24-22(27)29-16-20(28)26-15-7-4-8-18(26)2/h9-12,18H,3-8,13-16H2,1-2H3