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

Systemtic Name: 2-(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]acetic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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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)