2-(pyridin-3-ylcarbamothioylsulfanyl)ethanoic acid

Systemtic Name: 2-(pyridin-3-ylcarbamothioylsulfanyl)ethanoic acid Openeye Name: 2-(3-pyridylcarbamothioylsulfanyl)acetic acid CAS Name: 2-[[(3-pyridinylamino)-sulfanylidenemethyl]thio]acetic acid IUPAC Name: 2-(pyridin-3-ylcarbamothioylsulfanyl)acetic acid Traditional Name: 2-(3-pyridylthiocarbamoylthio)acetic acid Formula: C8H8N2O2S2 MolecularWeight: 228.29132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)NC(=S)SCC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)NC(=S)SCC(=O)O

InChI

InChI=1S/C8H8N2O2S2/c11-7(12)5-14-8(13)10-6-2-1-3-9-4-6/h1-4H,5H2,(H,10,13)(H,11,12)