methyl 2-(4-cyanopyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(4-cyanopyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[(4-cyano-2-pyridyl)sulfanyl]acetate CAS Name: 2-[(4-cyano-2-pyridinyl)thio]acetic acid methyl ester IUPAC Name: methyl 2-(4-cyanopyridin-2-yl)sulfanylacetate Traditional Name: 2-[(4-cyano-2-pyridyl)thio]acetic acid methyl ester Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC=CC(=C1)C#N

Isomeric SMILES

COC(=O)CSC1=NC=CC(=C1)C#N

InChI

InChI=1S/C9H8N2O2S/c1-13-9(12)6-14-8-4-7(5-10)2-3-11-8/h2-4H,6H2,1H3