6-bromanyl-2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]vinyl]quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[(E)-2-[4-(trifluoromethylthio)phenyl]ethenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-[(E)-2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[(E)-2-[4-(trifluoromethylthio)phenyl]vinyl]cinchoninic acid Formula: C19H11BrF3NO2S MolecularWeight: 454.26035

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)SC(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1/C=C/C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O)SC(F)(F)F

InChI

InChI=1S/C19H11BrF3NO2S/c20-12-4-8-17-15(9-12)16(18(25)26)10-13(24-17)5-1-11-2-6-14(7-3-11)27-19(21,22)23/h1-10H,(H,25,26)/b5-1+