2-[pyridin-2-yl(sulfanyl)methyl]benzoic acid

Systemtic Name: 2-[pyridin-2-yl(sulfanyl)methyl]benzoic acid Openeye Name: 2-[2-pyridyl(sulfanyl)methyl]benzoic acid CAS Name: 2-[mercapto(2-pyridinyl)methyl]benzoic acid IUPAC Name: 2-[pyridin-2-yl(sulfanyl)methyl]benzoic acid Traditional Name: 2-[mercapto(2-pyridyl)methyl]benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(C2=CC=CC=N2)S)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(C2=CC=CC=N2)S)C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)10-6-2-1-5-9(10)12(17)11-7-3-4-8-14-11/h1-8,12,17H,(H,15,16)