6-bromanyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid

Systemtic Name: 6-bromanyl-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Openeye Name: 6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid CAS Name: 6-bromo-2-[4-(methylthio)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 6-bromo-2-(4-methylsulfanylphenyl)quinoline-4-carboxylic acid Traditional Name: 6-bromo-2-[4-(methylthio)phenyl]cinchoninic acid Formula: C17H12BrNO2S MolecularWeight: 374.25168

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)O

InChI

InChI=1S/C17H12BrNO2S/c1-22-12-5-2-10(3-6-12)16-9-14(17(20)21)13-8-11(18)4-7-15(13)19-16/h2-9H,1H3,(H,20,21)