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

Systemtic Name: 6-(1-ethyl-1-methyl-5-nitro-3-sulfanidyl-imidazole-1,3-diium-2-yl)pyridazine-3-carbonitrile Openeye Name: 6-(1-ethyl-1-methyl-5-nitro-3-sulfido-imidazole-1,3-diium-2-yl)pyridazine-3-carbonitrile CAS Name: 6-(1-ethyl-1-methyl-5-nitro-3-sulfido-2-imidazole-1,3-diiumyl)-3-pyridazinecarbonitrile IUPAC Name: 6-(1-ethyl-1-methyl-5-nitro-3-sulfidoimidazole-1,3-diium-2-yl)pyridazine-3-carbonitrile Traditional Name: 6-(1-ethyl-1-methyl-5-nitro-3-sulfido-imidazole-1,3-diium-2-yl)pyridazine-3-carbonitrile Formula: C11H11N6O2S+ MolecularWeight: 291.30904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H11N6O2S/c1-3-17(2)10(16(18)19)7-15(20)11(17)9-5-4-8(6-12)13-14-9/h4-5,7H,3H2,1-2H3/q+1