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

Systemtic Name: 2-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[2-[[5-(trifluoromethyl)-2-pyridinyl]sulfonyl]ethylthio]-3-pyridinecarboxylate IUPAC Name: 2-[2-[5-(trifluoromethyl)pyridin-2-yl]sulfonylethylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[2-[[5-(trifluoromethyl)-2-pyridyl]sulfonyl]ethylthio]nicotinate Formula: C14H10F3N2O4S2- MolecularWeight: 391.36541

Click to see the large picture

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)/p-1