2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 1-(4-benzyl-1-piperidyl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-benzylpiperidino)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C23H25ClN4OS MolecularWeight: 440.9888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCC(CC2)CC3=CC=CC=C3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4OS/c1-27-22(19-7-9-20(24)10-8-19)25-26-23(27)30-16-21(29)28-13-11-18(12-14-28)15-17-5-3-2-4-6-17/h2-10,18H,11-16H2,1H3