6-(4-fluoranyl-2-methoxy-phenyl)-2,2,4-trimethyl-5-[(2-methylphenyl)sulfanylmethyl]-1H-quinoline

Systemtic Name: 6-(4-fluoranyl-2-methoxy-phenyl)-2,2,4-trimethyl-5-[(2-methylphenyl)sulfanylmethyl]-1H-quinoline Openeye Name: 6-(4-fluoro-2-methoxy-phenyl)-2,2,4-trimethyl-5-(o-tolylsulfanylmethyl)-1H-quinoline CAS Name: 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[[(2-methylphenyl)thio]methyl]-1H-quinoline IUPAC Name: 6-(4-fluoro-2-methoxyphenyl)-2,2,4-trimethyl-5-[(2-methylphenyl)sulfanylmethyl]-1H-quinoline Traditional Name: 6-(4-fluoro-2-methoxy-phenyl)-2,2,4-trimethyl-5-[(o-tolylthio)methyl]-1H-quinoline Formula: C27H28FNOS MolecularWeight: 433.580723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC2=C(C=CC3=C2C(=CC(N3)(C)C)C)C4=C(C=C(C=C4)F)OC

Isomeric SMILES

CC1=CC=CC=C1SCC2=C(C=CC3=C2C(=CC(N3)(C)C)C)C4=C(C=C(C=C4)F)OC

InChI

InChI=1S/C27H28FNOS/c1-17-8-6-7-9-25(17)31-16-22-20(21-11-10-19(28)14-24(21)30-5)12-13-23-26(22)18(2)15-27(3,4)29-23/h6-15,29H,16H2,1-5H3