2-pyridin-4-yl-4-sulfanyl-butanoic acid

Systemtic Name: 2-pyridin-4-yl-4-sulfanyl-butanoic acid Openeye Name: 2-(4-pyridyl)-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-pyridin-4-ylbutanoic acid IUPAC Name: 2-pyridin-4-yl-4-sulfanylbutanoic acid Traditional Name: 4-mercapto-2-(4-pyridyl)butyric acid Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C(CCS)C(=O)O

Isomeric SMILES

C1=CN=CC=C1C(CCS)C(=O)O

InChI

InChI=1S/C9H11NO2S/c11-9(12)8(3-6-13)7-1-4-10-5-2-7/h1-2,4-5,8,13H,3,6H2,(H,11,12)