2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-6-pyridin-4-yl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-6-pyridin-4-ylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[[3-cyano-6-(4-pyridyl)-2-pyridyl]thio]acetate Formula: C13H8N3O2S- MolecularWeight: 270.28652

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1C#N)SCC(=O)[O-])C2=CC=NC=C2

Isomeric SMILES

C1=CC(=NC(=C1C#N)SCC(=O)[O-])C2=CC=NC=C2

InChI

InChI=1S/C13H9N3O2S/c14-7-10-1-2-11(9-3-5-15-6-4-9)16-13(10)19-8-12(17)18/h1-6H,8H2,(H,17,18)/p-1