2-(pyridin-4-ylmethylsulfanyl)ethanoic acid

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-(4-pyridylmethylsulfanyl)acetic acid CAS Name: 2-(pyridin-4-ylmethylthio)acetic acid IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)acetic acid Traditional Name: 2-(4-pyridylmethylthio)acetic acid Formula: C8H9NO2S MolecularWeight: 183.22756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CSCC(=O)O

Isomeric SMILES

C1=CN=CC=C1CSCC(=O)O

InChI

InChI=1S/C8H9NO2S/c10-8(11)6-12-5-7-1-3-9-4-2-7/h1-4H,5-6H2,(H,10,11)