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

Systemtic Name: 4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-[3-(trifluoromethyl)phenyl]carbonyl-piperazin-1-yl]butan-1-one Openeye Name: 4-[[4-(3-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one CAS Name: 4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[oxo-[3-(trifluoromethyl)phenyl]methyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[4-(3-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]butan-1-one Traditional Name: 4-[[4-(3-chlorophenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-[3-methyl-4-[3-(trifluoromethyl)benzoyl]piperazino]butan-1-one Formula: C32H31ClF3N5O2S MolecularWeight: 642.13405

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H31ClF3N5O2S/c1-21-11-13-23(14-12-21)29-37-38-31(41(29)27-9-4-8-26(33)19-27)44-17-5-10-28(42)39-15-16-40(22(2)20-39)30(43)24-6-3-7-25(18-24)32(34,35)36/h3-4,6-9,11-14,18-19,22H,5,10,15-17,20H2,1-2H3