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

Systemtic Name: 2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylbutanoate Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]butanoate CAS Name: 2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]butanoate IUPAC Name: 2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylbutanoate Traditional Name: 2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]butyrate Formula: C12H13N2O2S- MolecularWeight: 249.30882

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=C(C(=CC(=N1)C)C)C#N

Isomeric SMILES

CCC(C(=O)[O-])SC1=C(C(=CC(=N1)C)C)C#N

InChI

InChI=1S/C12H14N2O2S/c1-4-10(12(15)16)17-11-9(6-13)7(2)5-8(3)14-11/h5,10H,4H2,1-3H3,(H,15,16)/p-1