3-(1H-imidazol-2-ylsulfanyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid

Systemtic Name: 3-(1H-imidazol-2-ylsulfanyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-4-oxidanyl-5-oxidanylidene-furan-2-carboxylic acid Openeye Name: 4-hydroxy-3-(1H-imidazol-2-ylsulfanyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-5-oxo-furan-2-carboxylic acid CAS Name: 4-hydroxy-3-(1H-imidazol-2-ylthio)-2-[(1H-imidazol-2-ylthio)methyl]-5-oxo-2-furancarboxylic acid IUPAC Name: 4-hydroxy-3-(1H-imidazol-2-ylsulfanyl)-2-(1H-imidazol-2-ylsulfanylmethyl)-5-oxofuran-2-carboxylic acid Traditional Name: 4-hydroxy-3-(1H-imidazol-2-ylthio)-2-[(1H-imidazol-2-ylthio)methyl]-5-keto-2-furoic acid Formula: C12H10N4O5S2 MolecularWeight: 354.3616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SCC2(C(=C(C(=O)O2)O)SC3=NC=CN3)C(=O)O

Isomeric SMILES

C1=CN=C(N1)SCC2(C(=C(C(=O)O2)O)SC3=NC=CN3)C(=O)O

InChI

InChI=1S/C12H10N4O5S2/c17-6-7(23-11-15-3-4-16-11)12(9(19)20,21-8(6)18)5-22-10-13-1-2-14-10/h1-4,17H,5H2,(H,13,14)(H,15,16)(H,19,20)