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

Systemtic Name: 2-(6-butyl-3-cyano-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(6-butyl-3-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(6-butyl-3-cyano-2-pyridinyl)thio]acetate IUPAC Name: 2-(6-butyl-3-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(6-butyl-3-cyano-2-pyridyl)thio]acetate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)[O-]

Isomeric SMILES

CCCCC1=NC(=C(C=C1)C#N)SCC(=O)[O-]

InChI

InChI=1S/C12H14N2O2S/c1-2-3-4-10-6-5-9(7-13)12(14-10)17-8-11(15)16/h5-6H,2-4,8H2,1H3,(H,15,16)/p-1