3-(1-methyl-5-nitro-imidazol-2-yl)-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazine

Systemtic Name: 3-(1-methyl-5-nitro-imidazol-2-yl)-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazine Openeye Name: 3-(1-methyl-5-nitro-imidazol-2-yl)-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazine CAS Name: 3-(1-methyl-5-nitro-2-imidazolyl)-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazine IUPAC Name: 3-(1-methyl-5-nitroimidazol-2-yl)-6-methylsulfonyl-[1,2,4]triazolo[4,3-b]pyridazine Traditional Name: 6-mesyl-3-(1-methyl-5-nitro-imidazol-2-yl)-[1,2,4]triazolo[4,3-b]pyridazine Formula: C10H9N7O4S MolecularWeight: 323.28796

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1C2=NN=C3N2N=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1C2=NN=C3N2N=C(C=C3)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H9N7O4S/c1-15-8(17(18)19)5-11-9(15)10-13-12-6-3-4-7(14-16(6)10)22(2,20)21/h3-5H,1-2H3