dicopper 2-[[diethylamino(sulfaniumylidene)methyl]azanidyliminomethyl]-4-nitro-phenolate

Systemtic Name: dicopper 2-[[diethylamino(sulfaniumylidene)methyl]azanidyliminomethyl]-4-nitro-phenolate Openeye Name: dicopper 2-[[diethylamino(sulfoniumylidene)methyl]azanidyliminomethyl]-4-nitro-phenolate CAS Name: dicopper 2-[[diethylamino(sulfoniumylidene)methyl]azanidyliminomethyl]-4-nitrophenolate IUPAC Name: dicopper 2-[[diethylamino(sulfoniumylidene)methyl]azanidyliminomethyl]-4-nitrophenolate Traditional Name: dicupric 2-[[diethylamino(sulfoniumylidene)methyl]azanidyliminomethyl]-4-nitro-phenolate Formula: C24H30Cu2N8O6S2+2 MolecularWeight: 717.767

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=[SH+])[N-]N=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-].CCN(CC)C(=[SH+])[N-]N=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-].[Cu+2].[Cu+2]

Isomeric SMILES

CCN(CC)C(=[SH+])[N-]N=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-].CCN(CC)C(=[SH+])[N-]N=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-].[Cu+2].[Cu+2]

InChI

InChI=1S/2C12H16N4O3S.2Cu/c2*1-3-15(4-2)12(20)14-13-8-9-7-10(16(18)19)5-6-11(9)17;;/h2*5-8H,3-4H2,1-2H3,(H2,13,14,17,20);;/q;;2*+2/p-2