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

Systemtic Name: 2,2-dimethyl-4-(prop-2-enylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Openeye Name: 4-(allylsulfanylmethyl)-2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1H-quinoline CAS Name: 2,2-dimethyl-4-[(prop-2-enylthio)methyl]-6-[2-(trifluoromethyl)phenyl]-1H-quinoline IUPAC Name: 2,2-dimethyl-4-(prop-2-enylsulfanylmethyl)-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Traditional Name: 4-[(allylthio)methyl]-2,2-dimethyl-6-[2-(trifluoromethyl)phenyl]-1H-quinoline Formula: C22H22F3NS MolecularWeight: 389.47699

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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)CSCC=C)C

Isomeric SMILES

CC1(C=C(C2=C(N1)C=CC(=C2)C3=CC=CC=C3C(F)(F)F)CSCC=C)C

InChI

InChI=1S/C22H22F3NS/c1-4-11-27-14-16-13-21(2,3)26-20-10-9-15(12-18(16)20)17-7-5-6-8-19(17)22(23,24)25/h4-10,12-13,26H,1,11,14H2,2-3H3