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

Systemtic Name: 2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-6-methyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-6-methyl-2-pyridyl)thio]acetic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)O

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)O

InChI

InChI=1S/C9H8N2O2S/c1-6-2-3-7(4-10)9(11-6)14-5-8(12)13/h2-3H,5H2,1H3,(H,12,13)