4-[[4-(2-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one

Systemtic Name: 4-[[4-(2-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(phenylmethyl)piperidin-1-yl]butan-1-one Openeye Name: 1-(4-benzyl-1-piperidyl)-4-[[4-(2-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 4-[[4-(2-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-(phenylmethyl)-1-piperidinyl]-1-butanone IUPAC Name: 1-(4-benzylpiperidin-1-yl)-4-[[4-(2-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-(4-benzylpiperidino)-4-[[4-(2-methoxyphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H36N4O2S MolecularWeight: 540.71884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3OC)SCCCC(=O)N4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3OC)SCCCC(=O)N4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C32H36N4O2S/c1-24-14-16-27(17-15-24)31-33-34-32(36(31)28-11-6-7-12-29(28)38-2)39-22-8-13-30(37)35-20-18-26(19-21-35)23-25-9-4-3-5-10-25/h3-7,9-12,14-17,26H,8,13,18-23H2,1-2H3