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

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

Systemtic Name:2-(4-methylsulfanylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
Openeye Name:2-(4-methylsulfanylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
CAS Name:2-[4-(methylthio)phenyl]-6-(trifluoromethyl)-4-quinolinecarboxylic acid
IUPAC Name:2-(4-methylsulfanylphenyl)-6-(trifluoromethyl)quinoline-4-carboxylic acid
Traditional Name:2-[4-(methylthio)phenyl]-6-(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=C(C=C3)C(F)(F)F)C(=C2)C(=O)O


Isomeric SMILES

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


InChI

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


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