5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)pentan-1-one

Systemtic Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)pentan-1-one Openeye Name: 1-(4-methyl-1-piperidyl)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-1-(4-methyl-1-piperidinyl)-1-pentanone IUPAC Name: 5-[[5-(4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-1-(4-methylpiperidin-1-yl)pentan-1-one Traditional Name: 1-(4-methylpiperidino)-5-[[4-phenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C26H32N4OS MolecularWeight: 448.62348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(CC1)C(=O)CCCCSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)C

InChI

InChI=1S/C26H32N4OS/c1-20-11-13-22(14-12-20)25-27-28-26(30(25)23-8-4-3-5-9-23)32-19-7-6-10-24(31)29-17-15-21(2)16-18-29/h3-5,8-9,11-14,21H,6-7,10,15-19H2,1-2H3