1-[3-[(4-azanyl-5-fluoranyl-2-methyl-quinolin-3-yl)methylsulfanylmethyl]phenyl]-2,2,2-tris(fluoranyl)ethane-1,1-diol

Systemtic Name: 1-[3-[(4-azanyl-5-fluoranyl-2-methyl-quinolin-3-yl)methylsulfanylmethyl]phenyl]-2,2,2-tris(fluoranyl)ethane-1,1-diol Openeye Name: 1-[3-[(4-amino-5-fluoro-2-methyl-3-quinolyl)methylsulfanylmethyl]phenyl]-2,2,2-trifluoro-ethane-1,1-diol CAS Name: 1-[3-[[(4-amino-5-fluoro-2-methyl-3-quinolinyl)methylthio]methyl]phenyl]-2,2,2-trifluoroethane-1,1-diol IUPAC Name: 1-[3-[(4-amino-5-fluoro-2-methylquinolin-3-yl)methylsulfanylmethyl]phenyl]-2,2,2-trifluoroethane-1,1-diol Traditional Name: 1-[3-[[(4-amino-5-fluoro-2-methyl-3-quinolyl)methylthio]methyl]phenyl]-2,2,2-trifluoro-ethane-1,1-diol Formula: C20H18F4N2O2S MolecularWeight: 426.427733

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=CC=C2)F)C(=C1CSCC3=CC(=CC=C3)C(C(F)(F)F)(O)O)N

Isomeric SMILES

CC1=NC2=C(C(=CC=C2)F)C(=C1CSCC3=CC(=CC=C3)C(C(F)(F)F)(O)O)N

InChI

InChI=1S/C20H18F4N2O2S/c1-11-14(18(25)17-15(21)6-3-7-16(17)26-11)10-29-9-12-4-2-5-13(8-12)19(27,28)20(22,23)24/h2-8,27-28H,9-10H2,1H3,(H2,25,26)