3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-2,5-dicarboxylic acid

Systemtic Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-2,5-dicarboxylic acid Openeye Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-2,5-dicarboxylic acid CAS Name: 3-[[3-(trifluoromethyl)phenyl]methylthio]pyridine-2,5-dicarboxylic acid IUPAC Name: 3-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridine-2,5-dicarboxylic acid Traditional Name: 3-[[3-(trifluoromethyl)benzyl]thio]isocinchomeronic acid Formula: C15H10F3NO4S MolecularWeight: 357.30441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(F)(F)F)CSC2=C(N=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)C(F)(F)F)CSC2=C(N=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C15H10F3NO4S/c16-15(17,18)10-3-1-2-8(4-10)7-24-11-5-9(13(20)21)6-19-12(11)14(22)23/h1-6H,7H2,(H,20,21)(H,22,23)