6-(5-fluoranyl-2-methoxy-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline

Systemtic Name: 6-(5-fluoranyl-2-methoxy-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Openeye Name: 6-(5-fluoro-2-methoxy-phenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline CAS Name: 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline IUPAC Name: 6-(5-fluoro-2-methoxyphenyl)-2,2-dimethyl-4-(phenethylsulfanylmethyl)-1H-quinoline Traditional Name: 6-(5-fluoro-2-methoxy-phenyl)-2,2-dimethyl-4-[(phenethylthio)methyl]-1H-quinoline Formula: C27H28FNOS MolecularWeight: 433.580723

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=CC(=C3)F)OC)CSCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=C(C=CC(=C3)F)OC)CSCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H28FNOS/c1-27(2)17-21(18-31-14-13-19-7-5-4-6-8-19)23-15-20(9-11-25(23)29-27)24-16-22(28)10-12-26(24)30-3/h4-12,15-17,29H,13-14,18H2,1-3H3