2-(2-pyridin-2-ylethylsulfanyl)benzoate

Systemtic Name: 2-(2-pyridin-2-ylethylsulfanyl)benzoate Openeye Name: 2-[2-(2-pyridyl)ethylsulfanyl]benzoate CAS Name: 2-[2-(2-pyridinyl)ethylthio]benzoate IUPAC Name: 2-(2-pyridin-2-ylethylsulfanyl)benzoate Traditional Name: 2-[2-(2-pyridyl)ethylthio]benzoate Formula: C14H12NO2S- MolecularWeight: 258.31558

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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)/p-1