3-(5-cyanopyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(5-cyanopyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(5-cyano-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(5-cyano-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(5-cyanopyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(5-cyano-2-pyridyl)thio]propionic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C#N)SCCC(=O)O

Isomeric SMILES

C1=CC(=NC=C1C#N)SCCC(=O)O

InChI

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