5-[[4-(6-fluoranyl-2-methylsulfanyl-thioxanthen-9-ylidene)piperidin-1-yl]methyl]cyclohexane-1,2,3,5-tetrol

Systemtic Name: 5-[[4-(6-fluoranyl-2-methylsulfanyl-thioxanthen-9-ylidene)piperidin-1-yl]methyl]cyclohexane-1,2,3,5-tetrol Openeye Name: 5-[[4-(6-fluoro-2-methylsulfanyl-thioxanthen-9-ylidene)-1-piperidyl]methyl]cyclohexane-1,2,3,5-tetrol CAS Name: 5-[[4-[6-fluoro-2-(methylthio)-9-thioxanthenylidene]-1-piperidinyl]methyl]cyclohexane-1,2,3,5-tetrol IUPAC Name: 5-[[4-(6-fluoro-2-methylsulfanylthioxanthen-9-ylidene)piperidin-1-yl]methyl]cyclohexane-1,2,3,5-tetrol Traditional Name: 5-[[4-[6-fluoro-2-(methylthio)thioxanthen-9-ylidene]piperidino]methyl]cyclohexane-1,2,3,5-tetrol Formula: C26H30FNO4S2 MolecularWeight: 503.649103

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)SC3=C(C2=C4CCN(CC4)CC5(CC(C(C(C5)O)O)O)O)C=CC(=C3)F

Isomeric SMILES

CSC1=CC2=C(C=C1)SC3=C(C2=C4CCN(CC4)CC5(CC(C(C(C5)O)O)O)O)C=CC(=C3)F

InChI

InChI=1S/C26H30FNO4S2/c1-33-17-3-5-22-19(11-17)24(18-4-2-16(27)10-23(18)34-22)15-6-8-28(9-7-15)14-26(32)12-20(29)25(31)21(30)13-26/h2-5,10-11,20-21,25,29-32H,6-9,12-14H2,1H3