2-(2-pyridin-2-ylethylsulfanyl)benzoic acid

Systemtic Name: 2-(2-pyridin-2-ylethylsulfanyl)benzoic acid Openeye Name: 2-[2-(2-pyridyl)ethylsulfanyl]benzoic acid CAS Name: 2-[2-(2-pyridinyl)ethylthio]benzoic acid IUPAC Name: 2-(2-pyridin-2-ylethylsulfanyl)benzoic acid Traditional Name: 2-[2-(2-pyridyl)ethylthio]benzoic acid Formula: C14H13NO2S MolecularWeight: 259.32352

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCCC2=CC=CC=N2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCCC2=CC=CC=N2

InChI

InChI=1S/C14H13NO2S/c16-14(17)12-6-1-2-7-13(12)18-10-8-11-5-3-4-9-15-11/h1-7,9H,8,10H2,(H,16,17)