2-(3-pyridin-4-ylpropylsulfanyl)ethanoic acid

Systemtic Name: 2-(3-pyridin-4-ylpropylsulfanyl)ethanoic acid Openeye Name: 2-[3-(4-pyridyl)propylsulfanyl]acetic acid CAS Name: 2-(3-pyridin-4-ylpropylthio)acetic acid IUPAC Name: 2-(3-pyridin-4-ylpropylsulfanyl)acetic acid Traditional Name: 2-[3-(4-pyridyl)propylthio]acetic acid Formula: C10H13NO2S MolecularWeight: 211.28072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CCCSCC(=O)O

Isomeric SMILES

C1=CN=CC=C1CCCSCC(=O)O

InChI

InChI=1S/C10H13NO2S/c12-10(13)8-14-7-1-2-9-3-5-11-6-4-9/h3-6H,1-2,7-8H2,(H,12,13)