4-[[4-[6-fluoranyl-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]cyclohexan-1-one

Systemtic Name: 4-[[4-[6-fluoranyl-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]cyclohexan-1-one Openeye Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]-1-piperidyl]methyl]cyclohexanone CAS Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)-9-thioxanthenylidene]-1-piperidinyl]methyl]-1-cyclohexanone IUPAC Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidin-1-yl]methyl]cyclohexan-1-one Traditional Name: 4-[[4-[6-fluoro-2-(trifluoromethyl)thioxanthen-9-ylidene]piperidino]methyl]cyclohexanone Formula: C26H25F4NOS MolecularWeight: 475.541413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)CCC1CN2CCC(=C3C4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)C(F)(F)F)CC2

Isomeric SMILES

C1CC(=O)CCC1CN2CCC(=C3C4=C(C=C(C=C4)F)SC5=C3C=C(C=C5)C(F)(F)F)CC2

InChI

InChI=1S/C26H25F4NOS/c27-19-4-7-21-24(14-19)33-23-8-3-18(26(28,29)30)13-22(23)25(21)17-9-11-31(12-10-17)15-16-1-5-20(32)6-2-16/h3-4,7-8,13-14,16H,1-2,5-6,9-12,15H2