sodium 2-(2-pyridin-4-ylethylsulfanyl)propanoate

Systemtic Name: sodium 2-(2-pyridin-4-ylethylsulfanyl)propanoate Openeye Name: sodium 2-[2-(4-pyridyl)ethylsulfanyl]propanoate CAS Name: sodium 2-(2-pyridin-4-ylethylthio)propanoate IUPAC Name: sodium 2-(2-pyridin-4-ylethylsulfanyl)propanoate Traditional Name: sodium 2-[2-(4-pyridyl)ethylthio]propionate Formula: C10H12NNaO2S MolecularWeight: 233.26255

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SCCC1=CC=NC=C1.[Na+]

Isomeric SMILES

CC(C(=O)[O-])SCCC1=CC=NC=C1.[Na+]

InChI

InChI=1S/C10H13NO2S.Na/c1-8(10(12)13)14-7-4-9-2-5-11-6-3-9;/h2-3,5-6,8H,4,7H2,1H3,(H,12,13);/q;+1/p-1