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

Systemtic Name: 1-[4-(3,4-dichlorophenyl)carbonyl-3-methyl-piperazin-1-yl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazin-1-yl]-4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-[4-[(3,4-dichlorophenyl)-oxomethyl]-3-methyl-1-piperazinyl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-[4-(3,4-dichlorobenzoyl)-3-methylpiperazin-1-yl]-4-[[4-(2-methylphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-[4-(3,4-dichlorobenzoyl)-3-methyl-piperazino]-4-[[4-(o-tolyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C32H33Cl2N5O2S MolecularWeight: 622.60772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=C(C=C5)C

Isomeric SMILES

CC1CN(CCN1C(=O)C2=CC(=C(C=C2)Cl)Cl)C(=O)CCCSC3=NN=C(N3C4=CC=CC=C4C)C5=CC=C(C=C5)C

InChI

InChI=1S/C32H33Cl2N5O2S/c1-21-10-12-24(13-11-21)30-35-36-32(39(30)28-8-5-4-7-22(28)2)42-18-6-9-29(40)37-16-17-38(23(3)20-37)31(41)25-14-15-26(33)27(34)19-25/h4-5,7-8,10-15,19,23H,6,9,16-18,20H2,1-3H3