2-(4-cyanopyridin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-cyanopyridin-2-yl)sulfanylethanoic acid Openeye Name: 2-[(4-cyano-2-pyridyl)sulfanyl]acetic acid CAS Name: 2-[(4-cyano-2-pyridinyl)thio]acetic acid IUPAC Name: 2-(4-cyanopyridin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-cyano-2-pyridyl)thio]acetic acid Formula: C8H6N2O2S MolecularWeight: 194.21044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(C=C1C#N)SCC(=O)O

Isomeric SMILES

C1=CN=C(C=C1C#N)SCC(=O)O

InChI

InChI=1S/C8H6N2O2S/c9-4-6-1-2-10-7(3-6)13-5-8(11)12/h1-3H,5H2,(H,11,12)