[7-(1H-imidazol-2-ylsulfanyl)-6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl]cyanamide

Systemtic Name: [7-(1H-imidazol-2-ylsulfanyl)-6-nitro-3-oxidanylidene-4H-quinoxalin-2-yl]cyanamide Openeye Name: [7-(1H-imidazol-2-ylsulfanyl)-6-nitro-3-oxo-4H-quinoxalin-2-yl]cyanamide CAS Name: [7-(1H-imidazol-2-ylthio)-6-nitro-3-oxo-4H-quinoxalin-2-yl]cyanamide IUPAC Name: [7-(1H-imidazol-2-ylsulfanyl)-6-nitro-3-oxo-4H-quinoxalin-2-yl]cyanamide Traditional Name: [7-(1H-imidazol-2-ylthio)-3-keto-6-nitro-4H-quinoxalin-2-yl]cyanamide Formula: C12H7N7O3S MolecularWeight: 329.29408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N1)SC2=C(C=C3C(=C2)N=C(C(=O)N3)NC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N1)SC2=C(C=C3C(=C2)N=C(C(=O)N3)NC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H7N7O3S/c13-5-16-10-11(20)18-6-3-8(19(21)22)9(4-7(6)17-10)23-12-14-1-2-15-12/h1-4H,(H,14,15)(H,16,17)(H,18,20)