butyl 2-(3-cyano-4-methyl-pyridin-2-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-cyano-4-methyl-pyridin-2-yl)sulfanylethanoate Openeye Name: butyl 2-[(3-cyano-4-methyl-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-2-pyridinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-cyano-4-methylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(3-cyano-4-methyl-2-pyridyl)thio]acetic acid butyl ester Formula: C13H16N2O2S MolecularWeight: 264.34334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=NC=CC(=C1C#N)C

Isomeric SMILES

CCCCOC(=O)CSC1=NC=CC(=C1C#N)C

InChI

InChI=1S/C13H16N2O2S/c1-3-4-7-17-12(16)9-18-13-11(8-14)10(2)5-6-15-13/h5-6H,3-4,7,9H2,1-2H3