2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]sulfanyl]pyridine-3-carboxylate CAS Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]thio]nicotinate Formula: C12H5ClF3N2O2S- MolecularWeight: 333.69351

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6ClF3N2O2S/c13-8-4-6(12(14,15)16)5-18-10(8)21-9-7(11(19)20)2-1-3-17-9/h1-5H,(H,19,20)/p-1