copper; [5-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate

Systemtic Name: copper; [5-[(1-methylpyridin-1-ium-3-yl)carbonylamino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate Openeye Name: copper; [5-[(1-methylpyridin-1-ium-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate CAS Name: copper; [5-[[(1-methyl-3-pyridin-1-iumyl)-oxomethyl]amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate IUPAC Name: copper; [5-[(1-methylpyridin-1-ium-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate Traditional Name: cupric; [5-[(1-methylpyridin-1-ium-3-carbonyl)amino]-1,3,4-thiadiazol-2-yl]sulfonylazanide; methyl sulfate Formula: C20H24CuN10O14S6 MolecularWeight: 884.39916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)[NH-].C[N+]1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)[NH-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].[Cu+2]

Isomeric SMILES

C[N+]1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)[NH-].C[N+]1=CC=CC(=C1)C(=O)NC2=NN=C(S2)S(=O)(=O)[NH-].COS(=O)(=O)[O-].COS(=O)(=O)[O-].[Cu+2]

InChI

InChI=1S/2C9H9N5O3S2.2CH4O4S.Cu/c2*1-14-4-2-3-6(5-14)7(15)11-8-12-13-9(18-8)19(10,16)17;2*1-5-6(2,3)4;/h2*2-5H,1H3,(H2-,10,11,12,15,16,17);2*1H3,(H,2,3,4);/q;;;;+2/p-2