3-(1-ethyl-1-methyl-5-nitro-3-sulfanidyl-imidazole-1,3-diium-2-yl)-6-methoxy-pyridazine

Systemtic Name: 3-(1-ethyl-1-methyl-5-nitro-3-sulfanidyl-imidazole-1,3-diium-2-yl)-6-methoxy-pyridazine Openeye Name: 3-(1-ethyl-1-methyl-5-nitro-3-sulfido-imidazole-1,3-diium-2-yl)-6-methoxy-pyridazine CAS Name: 3-(1-ethyl-1-methyl-5-nitro-3-sulfido-2-imidazole-1,3-diiumyl)-6-methoxypyridazine IUPAC Name: 3-(1-ethyl-1-methyl-5-nitro-3-sulfidoimidazole-1,3-diium-2-yl)-6-methoxypyridazine Traditional Name: 3-(1-ethyl-1-methyl-5-nitro-3-sulfido-imidazole-1,3-diium-2-yl)-6-methoxy-pyridazine Formula: C11H14N5O3S+ MolecularWeight: 296.32556

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C(=C[N+](=C1C2=NN=C(C=C2)OC)[S-])[N+](=O)[O-])C

Isomeric SMILES

CC[N+]1(C(=C[N+](=C1C2=NN=C(C=C2)OC)[S-])[N+](=O)[O-])C

InChI

InChI=1S/C11H14N5O3S/c1-4-16(2)10(15(17)18)7-14(20)11(16)8-5-6-9(19-3)13-12-8/h5-7H,4H2,1-3H3/q+1