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

Systemtic Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Openeye Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one CAS Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-1-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]-1-butanone IUPAC Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one Traditional Name: 4-[[5-(2-chlorophenyl)-4-(3,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]-1-[4-[3-(trifluoromethyl)phenyl]piperazino]butan-1-one Formula: C29H25Cl3F3N5OS MolecularWeight: 654.96091

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5Cl

Isomeric SMILES

C1CN(CCN1C2=CC=CC(=C2)C(F)(F)F)C(=O)CCCSC3=NN=C(N3C4=CC(=C(C=C4)Cl)Cl)C5=CC=CC=C5Cl

InChI

InChI=1S/C29H25Cl3F3N5OS/c30-23-8-2-1-7-22(23)27-36-37-28(40(27)21-10-11-24(31)25(32)18-21)42-16-4-9-26(41)39-14-12-38(13-15-39)20-6-3-5-19(17-20)29(33,34)35/h1-3,5-8,10-11,17-18H,4,9,12-16H2