2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[[3-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[3-(trifluoromethyl)-2-pyridinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[3-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(trifluoromethyl)-2-pyridyl]thio]nicotinate Formula: C12H6F3N2O2S- MolecularWeight: 299.24845

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SC2=C(C=CC=N2)C(F)(F)F)C(=O)[O-]

Isomeric SMILES

C1=CC(=C(N=C1)SC2=C(C=CC=N2)C(F)(F)F)C(=O)[O-]

InChI

InChI=1S/C12H7F3N2O2S/c13-12(14,15)8-4-2-6-17-10(8)20-9-7(11(18)19)3-1-5-16-9/h1-6H,(H,18,19)/p-1