3-(pyridin-2-ylsulfanylmethyl)benzoic acid

Systemtic Name: 3-(pyridin-2-ylsulfanylmethyl)benzoic acid Openeye Name: 3-(2-pyridylsulfanylmethyl)benzoic acid CAS Name: 3-[(2-pyridinylthio)methyl]benzoic acid IUPAC Name: 3-(pyridin-2-ylsulfanylmethyl)benzoic acid Traditional Name: 3-[(2-pyridylthio)methyl]benzoic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C13H11NO2S/c15-13(16)11-5-3-4-10(8-11)9-17-12-6-1-2-7-14-12/h1-8H,9H2,(H,15,16)