2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetate IUPAC Name: 2-[3-cyano-6-phenyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridyl]thio]acetate Formula: C15H8F3N2O2S- MolecularWeight: 337.29643

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C(=C2)C(F)(F)F)C#N)SCC(=O)[O-]

InChI

InChI=1S/C15H9F3N2O2S/c16-15(17,18)11-6-12(9-4-2-1-3-5-9)20-14(10(11)7-19)23-8-13(21)22/h1-6H,8H2,(H,21,22)/p-1