sodium 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: sodium 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylate Openeye Name: sodium 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylate CAS Name: sodium 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3-pyridinecarboxylate IUPAC Name: sodium 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: sodium 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]nicotinate Formula: C15H10F3N2NaO3S MolecularWeight: 378.30148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=C(C=CC=N2)C(=O)[O-])C(F)(F)F.[Na+]

InChI

InChI=1S/C15H11F3N2O3S.Na/c16-15(17,18)9-3-1-4-10(7-9)20-12(21)8-24-13-11(14(22)23)5-2-6-19-13;/h1-7H,8H2,(H,20,21)(H,22,23);/q;+1/p-1