1-[4-(3-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one

Systemtic Name: 1-[4-(3-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Openeye Name: 1-[4-(3-chlorobenzoyl)-3-methyl-piperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one CAS Name: 1-[4-[(3-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-pentanone IUPAC Name: 1-[4-(3-chlorobenzoyl)-3-methylpiperazin-1-yl]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentan-1-one Traditional Name: 1-[4-(3-chlorobenzoyl)-3-methyl-piperazino]-5-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]pentan-1-one Formula: C32H34ClN5O3S MolecularWeight: 604.16206

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=CC=C2)Cl)C(=O)CCCCSC3=NN=C(N3C4=CC=C(C=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C32H34ClN5O3S/c1-23-22-36(18-19-37(23)31(40)25-11-8-12-26(33)21-25)29(39)13-6-7-20-42-32-35-34-30(24-9-4-3-5-10-24)38(32)27-14-16-28(41-2)17-15-27/h3-5,8-12,14-17,21,23H,6-7,13,18-20,22H2,1-2H3