dicopper 2-[N-[azepan-1-yl(sulfaniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]phenolate

Systemtic Name: dicopper 2-[N-[azepan-1-yl(sulfaniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]phenolate Openeye Name: dicopper 2-[N-[azepan-1-yl(sulfoniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]phenolate CAS Name: dicopper 2-[1-[1-azepanyl(sulfoniumylidene)methyl]azanidyliminoethyl]phenolate IUPAC Name: dicopper 2-[N-[azepan-1-yl(sulfoniumylidene)methyl]azanidyl-C-methylcarbonimidoyl]phenolate Traditional Name: dicupric 2-[N-[azepan-1-yl(sulfoniumylidene)methyl]azanidyl-C-methyl-carbonimidoyl]phenolate Formula: C30H40Cu2N6O2S2+2 MolecularWeight: 707.8996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N[N-]C(=[SH+])N1CCCCCC1)C2=CC=CC=C2[O-].CC(=N[N-]C(=[SH+])N1CCCCCC1)C2=CC=CC=C2[O-].[Cu+2].[Cu+2]

Isomeric SMILES

CC(=N[N-]C(=[SH+])N1CCCCCC1)C2=CC=CC=C2[O-].CC(=N[N-]C(=[SH+])N1CCCCCC1)C2=CC=CC=C2[O-].[Cu+2].[Cu+2]

InChI

InChI=1S/2C15H21N3OS.2Cu/c2*1-12(13-8-4-5-9-14(13)19)16-17-15(20)18-10-6-2-3-7-11-18;;/h2*4-5,8-9H,2-3,6-7,10-11H2,1H3,(H2,16,17,19,20);;/q;;2*+2/p-2