2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoate Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetate IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetate Formula: C11H11N2O2S- MolecularWeight: 235.28224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC(=O)[O-])C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC(=O)[O-])C

InChI

InChI=1S/C11H12N2O2S/c1-6-7(2)9(4-12)11(13-8(6)3)16-5-10(14)15/h5H2,1-3H3,(H,14,15)/p-1