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2-(4-bromophenyl)sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
2-(4-bromophenyl)sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propan-1-one
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Descriptors Computed from Structure
Canonical SMILES:
CC(C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)SC3=CC=C(C=C3)Br
Isomeric SMILES
CC(C(=O)N1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)SC3=CC=C(C=C3)Br
InChI
InChI=1S/C20H20BrF3N2OS/c1-14(28-18-7-5-16(21)6-8-18)19(27)26-11-9-25(10-12-26)17-4-2-3-15(13-17)20(22,23)24/h2-8,13-14H,9-12H2,1H3
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