4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one

Systemtic Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorophenyl)carbonyl-3-methyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorobenzoyl)-3-methyl-piperazin-1-yl]butan-1-one CAS Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[4-[(4-chlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-1-butanone IUPAC Name: 4-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-(4-chlorobenzoyl)-3-methylpiperazin-1-yl]butan-1-one Traditional Name: 4-[[4,5-bis(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[4-(4-chlorobenzoyl)-3-methyl-piperazino]butan-1-one Formula: C32H34ClN5O2S MolecularWeight: 588.16266

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC=C(C=C2)Cl)C(=O)CCCSC3=NN=C(N3C4=CC=C(C=C4)C)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H34ClN5O2S/c1-22-6-10-25(11-7-22)30-34-35-32(38(30)28-16-8-23(2)9-17-28)41-20-4-5-29(39)36-18-19-37(24(3)21-36)31(40)26-12-14-27(33)15-13-26/h6-17,24H,4-5,18-21H2,1-3H3