2-(methylsulfanylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(methylsulfanylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(methylsulfanylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(methylthio)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-(methylsulfanylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-[(methylthio)methylthio]nicotinate Formula: C8H8NO2S2- MolecularWeight: 214.28462

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Descriptors Computed from Structure

Canonical SMILES:

CSCSC1=C(C=CC=N1)C(=O)[O-]

Isomeric SMILES

CSCSC1=C(C=CC=N1)C(=O)[O-]

InChI

InChI=1S/C8H9NO2S2/c1-12-5-13-7-6(8(10)11)3-2-4-9-7/h2-4H,5H2,1H3,(H,10,11)/p-1