2,2-dimethyl-4-(phenethylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline

Systemtic Name: 2,2-dimethyl-4-(phenethylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Openeye Name: 2,2-dimethyl-4-(phenethylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline CAS Name: 2,2-dimethyl-4-[(phenethylthio)methyl]-6-[2-(trifluoromethyl)phenyl]-1H-quinoline IUPAC Name: 2,2-dimethyl-4-(phenethylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Traditional Name: 2,2-dimethyl-4-[(phenethylthio)methyl]-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Formula: C27H26F3NS MolecularWeight: 453.56225

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3C(F)(F)F)CSCCC4=CC=CC=C4)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3C(F)(F)F)CSCCC4=CC=CC=C4)C

InChI

InChI=1S/C27H26F3NS/c1-26(2)17-21(18-32-15-14-19-8-4-3-5-9-19)23-16-20(12-13-25(23)31-26)22-10-6-7-11-24(22)27(28,29)30/h3-13,16-17,31H,14-15,18H2,1-2H3