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6-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one
6-methyl-3-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]thiochromen-4-one
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC2=C(C=C1)SC=C(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
Isomeric SMILES
CC1=CC2=C(C=C1)SC=C(C2=O)N3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F
InChI
InChI=1S/C21H19F3N2OS/c1-14-5-6-19-17(11-14)20(27)18(13-28-19)26-9-7-25(8-10-26)16-4-2-3-15(12-16)21(22,23)24/h2-6,11-13H,7-10H2,1H3
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