2-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethylsulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethylsulfanyl]pyridine-3-carboxylic acid Openeye Name: 2-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethylsulfanyl]pyridine-3-carboxylic acid CAS Name: 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethylsulfanyl]pyridine-3-carboxylic acid Traditional Name: 2-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethylthio]nicotinic acid Formula: C14H11F3N2O4S2 MolecularWeight: 392.37335

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SCCS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)C(=O)O

InChI

InChI=1S/C14H11F3N2O4S2/c15-14(16,17)9-3-4-11(19-8-9)25(22,23)7-6-24-12-10(13(20)21)2-1-5-18-12/h1-5,8H,6-7H2,(H,20,21)