5-(4-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione

Systemtic Name: 5-(4-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium-7-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione Openeye Name: 5-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)-2-thioxo-hexahydropyrimidine-4,6-dione CAS Name: 5-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione IUPAC Name: 5-(4-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-7-yl)-2-sulfanylidene-1,3-diazinane-4,6-dione Traditional Name: 5-(7-nitro-1-oxido-benzofurazan-1-ium-4-yl)-2-thioxo-hexahydropyrimidine-4,6-quinone Formula: C10H5N5O6S MolecularWeight: 323.2416

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C2=NO[N+](=C2C(=C1)[N+](=O)[O-])[O-])C3C(=O)NC(=S)NC3=O

Isomeric SMILES

C1=C(C2=NO[N+](=C2C(=C1)[N+](=O)[O-])[O-])C3C(=O)NC(=S)NC3=O

InChI

InChI=1S/C10H5N5O6S/c16-8-5(9(17)12-10(22)11-8)3-1-2-4(14(18)19)7-6(3)13-21-15(7)20/h1-2,5H,(H2,11,12,16,17,22)