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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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