6-[2-[(5-carboxylato-3-cyano-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate

Systemtic Name: 6-[2-[(5-carboxylato-3-cyano-6-oxidanylidene-1H-pyridin-2-yl)sulfanyl]ethylsulfanyl]-5-cyano-2-oxidanylidene-1H-pyridine-3-carboxylate Openeye Name: 6-[2-[(5-carboxylato-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanyl]ethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-[(5-carboxylato-3-cyano-6-oxo-1H-pyridin-2-yl)thio]ethylthio]-5-cyano-2-oxo-1H-pyridine-3-carboxylate IUPAC Name: 6-[2-[(5-carboxylato-3-cyano-6-oxo-1H-pyridin-2-yl)sulfanyl]ethylsulfanyl]-5-cyano-2-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-[(5-carboxylato-3-cyano-6-keto-1H-pyridin-2-yl)thio]ethylthio]-5-cyano-2-keto-1H-pyridine-3-carboxylate Formula: C16H8N4O6S2-2 MolecularWeight: 416.38792

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=O)NC(=C1C#N)SCCSC2=C(C=C(C(=O)N2)C(=O)[O-])C#N)C(=O)[O-]

Isomeric SMILES

C1=C(C(=O)NC(=C1C#N)SCCSC2=C(C=C(C(=O)N2)C(=O)[O-])C#N)C(=O)[O-]

InChI

InChI=1S/C16H10N4O6S2/c17-5-7-3-9(15(23)24)11(21)19-13(7)27-1-2-28-14-8(6-18)4-10(16(25)26)12(22)20-14/h3-4H,1-2H2,(H,19,21)(H,20,22)(H,23,24)(H,25,26)/p-2