3-(4-cyanopyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(4-cyanopyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(4-cyano-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(4-cyano-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(4-cyanopyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(4-cyano-2-pyridyl)thio]propionic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O2S/c10-6-7-1-3-11-8(5-7)14-4-2-9(12)13/h1,3,5H,2,4H2,(H,12,13)