6-bromanyl-4-[4-(2-fluoranyl-4-methylsulfanyl-phenoxy)piperidin-1-yl]quinoline

Systemtic Name: 6-bromanyl-4-[4-(2-fluoranyl-4-methylsulfanyl-phenoxy)piperidin-1-yl]quinoline Openeye Name: 6-bromo-4-[4-(2-fluoro-4-methylsulfanyl-phenoxy)-1-piperidyl]quinoline CAS Name: 6-bromo-4-[4-[2-fluoro-4-(methylthio)phenoxy]-1-piperidinyl]quinoline IUPAC Name: 6-bromo-4-[4-(2-fluoro-4-methylsulfanylphenoxy)piperidin-1-yl]quinoline Traditional Name: 6-bromo-4-[4-[2-fluoro-4-(methylthio)phenoxy]piperidino]quinoline Formula: C21H20BrFN2OS MolecularWeight: 447.363703

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC(=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br)F

Isomeric SMILES

CSC1=CC(=C(C=C1)OC2CCN(CC2)C3=C4C=C(C=CC4=NC=C3)Br)F

InChI

InChI=1S/C21H20BrFN2OS/c1-27-16-3-5-21(18(23)13-16)26-15-7-10-25(11-8-15)20-6-9-24-19-4-2-14(22)12-17(19)20/h2-6,9,12-13,15H,7-8,10-11H2,1H3