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

Systemtic Name: 4-[[4-(2-bromanyl-6-fluoranyl-thioxanthen-9-ylidene)piperidin-1-yl]methyl]cyclohexan-1-ol Openeye Name: 4-[[4-(2-bromo-6-fluoro-thioxanthen-9-ylidene)-1-piperidyl]methyl]cyclohexanol CAS Name: 4-[[4-(2-bromo-6-fluoro-9-thioxanthenylidene)-1-piperidinyl]methyl]-1-cyclohexanol IUPAC Name: 4-[[4-(2-bromo-6-fluorothioxanthen-9-ylidene)piperidin-1-yl]methyl]cyclohexan-1-ol Traditional Name: 4-[[4-(2-bromo-6-fluoro-thioxanthen-9-ylidene)piperidino]methyl]cyclohexanol Formula: C25H27BrFNOS MolecularWeight: 488.455383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27BrFNOS/c26-18-3-8-23-22(13-18)25(21-7-4-19(27)14-24(21)30-23)17-9-11-28(12-10-17)15-16-1-5-20(29)6-2-16/h3-4,7-8,13-14,16,20,29H,1-2,5-6,9-12,15H2