4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine

Systemtic Name: 4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine Openeye Name: 4-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine CAS Name: 4-[(3-methyl-5-nitro-4-imidazolyl)thio]-1H-imidazo[4,5-d]pyridazine IUPAC Name: 4-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-1H-imidazo[4,5-d]pyridazine Traditional Name: 4-[(3-methyl-5-nitro-imidazol-4-yl)thio]-1H-imidazo[4,5-d]pyridazine Formula: C9H7N7O2S MolecularWeight: 277.26258

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC(=C1SC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC2=C3C(=CN=N2)NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C9H7N7O2S/c1-15-4-12-7(16(17)18)9(15)19-8-6-5(2-13-14-8)10-3-11-6/h2-4H,1H3,(H,10,11)