dipotassium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethanoate

Systemtic Name: dipotassium 2-[(2-oxidanidyl-2-oxidanylidene-ethyl)-[3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)phenyl]amino]ethanoate Openeye Name: dipotassium 2-[N-(2-oxido-2-oxo-ethyl)-3-(5-sulfanyl-2-thioxo-1H-imidazol-3-yl)anilino]acetate CAS Name: dipotassium 2-[3-(5-mercapto-2-sulfanylidene-1H-imidazol-3-yl)-N-(2-oxido-2-oxoethyl)anilino]acetate IUPAC Name: dipotassium 2-[N-(2-oxido-2-oxoethyl)-3-(5-sulfanyl-2-sulfanylidene-1H-imidazol-3-yl)anilino]acetate Traditional Name: dipotassium 2-[N-(2-keto-2-oxido-ethyl)-3-(4-mercapto-2-thioxo-4-imidazolin-1-yl)anilino]acetate Formula: C13H11K2N3O4S2 MolecularWeight: 415.57074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N(CC(=O)[O-])CC(=O)[O-])N2C=C(NC2=S)S.[K+].[K+]

Isomeric SMILES

C1=CC(=CC(=C1)N(CC(=O)[O-])CC(=O)[O-])N2C=C(NC2=S)S.[K+].[K+]

InChI

InChI=1S/C13H13N3O4S2.2K/c17-11(18)6-15(7-12(19)20)8-2-1-3-9(4-8)16-5-10(21)14-13(16)22;;/h1-5,21H,6-7H2,(H,14,22)(H,17,18)(H,19,20);;/q;2*+1/p-2