4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole

Systemtic Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole Openeye Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole CAS Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylthio)-7-nitro-2,1,3-benzoxadiazole IUPAC Name: 4-(4,5-dihydro-1H-imidazol-3-ium-2-ylsulfanyl)-7-nitro-2,1,3-benzoxadiazole Traditional Name: 4-(2-imidazolin-1-ium-2-ylthio)-7-nitro-benzofurazan Formula: C9H8N5O3S+ MolecularWeight: 266.25652

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+]=C(N1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+]=C(N1)SC2=CC=C(C3=NON=C23)[N+](=O)[O-]

InChI

InChI=1S/C9H7N5O3S/c15-14(16)5-1-2-6(8-7(5)12-17-13-8)18-9-10-3-4-11-9/h1-2H,3-4H2,(H,10,11)/p+1