2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxylic acid

Systemtic Name: 2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxylic acid Openeye Name: 2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxylic acid CAS Name: 2-[[2-(trifluoromethyl)phenyl]thio]-4-quinolinecarboxylic acid IUPAC Name: 2-[2-(trifluoromethyl)phenyl]sulfanylquinoline-4-carboxylic acid Traditional Name: 2-[[2-(trifluoromethyl)phenyl]thio]cinchoninic acid Formula: C17H10F3NO2S MolecularWeight: 349.32701

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)SC3=CC=CC=C3C(F)(F)F)C(=O)O

InChI

InChI=1S/C17H10F3NO2S/c18-17(19,20)12-6-2-4-8-14(12)24-15-9-11(16(22)23)10-5-1-3-7-13(10)21-15/h1-9H,(H,22,23)