2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetic acid Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)O)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)O)C

InChI

InChI=1S/C10H10N2O2S/c1-6-3-7(2)12-10(8(6)4-11)15-5-9(13)14/h3H,5H2,1-2H3,(H,13,14)