2-[[3-cyano-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-cyano-6-oxidanylidene-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[3-cyano-6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-cyano-6-keto-4-(trifluoromethyl)-1H-pyridin-2-yl]thio]acetic acid Formula: C9H5F3N2O3S MolecularWeight: 278.20781

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(NC1=O)SCC(=O)O)C#N)C(F)(F)F

Isomeric SMILES

C1=C(C(=C(NC1=O)SCC(=O)O)C#N)C(F)(F)F

InChI

InChI=1S/C9H5F3N2O3S/c10-9(11,12)5-1-6(15)14-8(4(5)2-13)18-3-7(16)17/h1H,3H2,(H,14,15)(H,16,17)