2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-(3-cyano-6-propyl-pyridin-2-yl)sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[(3-cyano-6-propyl-2-pyridyl)sulfanyl]-2-methyl-propanoic acid CAS Name: 2-[(3-cyano-6-propyl-2-pyridinyl)thio]-2-methylpropanoic acid IUPAC Name: 2-(3-cyano-6-propylpyridin-2-yl)sulfanyl-2-methylpropanoic acid Traditional Name: 2-[(3-cyano-6-propyl-2-pyridyl)thio]-2-methyl-propionic acid Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)O

Isomeric SMILES

CCCC1=NC(=C(C=C1)C#N)SC(C)(C)C(=O)O

InChI

InChI=1S/C13H16N2O2S/c1-4-5-10-7-6-9(8-14)11(15-10)18-13(2,3)12(16)17/h6-7H,4-5H2,1-3H3,(H,16,17)