2-[(6-chloranylpyridin-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(6-chloranylpyridin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(6-chloro-3-pyridyl)methylsulfanyl]acetic acid CAS Name: 2-[(6-chloro-3-pyridinyl)methylthio]acetic acid IUPAC Name: 2-[(6-chloropyridin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(6-chloro-3-pyridyl)methylthio]acetic acid Formula: C8H8ClNO2S MolecularWeight: 217.67262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1CSCC(=O)O)Cl

Isomeric SMILES

C1=CC(=NC=C1CSCC(=O)O)Cl

InChI

InChI=1S/C8H8ClNO2S/c9-7-2-1-6(3-10-7)4-13-5-8(11)12/h1-3H,4-5H2,(H,11,12)