2-(4-methylsulfanylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 2-(4-methylsulfanylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 2-[4-(methylthio)phenyl]-8-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-8-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 2-[4-(methylthio)phenyl]-8-(trifluoromethyl)cinchoninic acid Formula: C18H12F3NO2S MolecularWeight: 363.35359

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(F)(F)F)C(=C2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C2=NC3=C(C=CC=C3C(F)(F)F)C(=C2)C(=O)O

InChI

InChI=1S/C18H12F3NO2S/c1-25-11-7-5-10(6-8-11)15-9-13(17(23)24)12-3-2-4-14(16(12)22-15)18(19,20)21/h2-9H,1H3,(H,23,24)