2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-6-ethyl-5-methyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-ethyl-5-methylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-6-ethyl-5-methyl-2-pyridyl)thio]acetic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=N1)SCC(=O)O)C#N)C

Isomeric SMILES

CCC1=C(C=C(C(=N1)SCC(=O)O)C#N)C

InChI

InChI=1S/C11H12N2O2S/c1-3-9-7(2)4-8(5-12)11(13-9)16-6-10(14)15/h4H,3,6H2,1-2H3,(H,14,15)