copper; [azanyl(sulfaniumylidene)methyl]-[(3-methoxy-2-oxidaniumyl-phenyl)methylideneamino]azanide; 1,10-phenanthroline

Systemtic Name: copper; [azanyl(sulfaniumylidene)methyl]-[(3-methoxy-2-oxidaniumyl-phenyl)methylideneamino]azanide; 1,10-phenanthroline Openeye Name: copper; [amino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxonio-phenyl)methyleneamino]azanide; 1,10-phenanthroline CAS Name: copper; [amino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide; 1,10-phenanthroline IUPAC Name: copper; [amino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxoniophenyl)methylideneamino]azanide; 1,10-phenanthroline Traditional Name: cupric; [amino(sulfoniumylidene)methyl]-[(3-methoxy-2-oxonio-benzylidene)amino]azanide; 1,10-phenanthroline Formula: C21H20CuN5O2S+3 MolecularWeight: 470.0268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1[OH2+])C=N[N-]C(=[SH+])N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu+2]

Isomeric SMILES

COC1=CC=CC(=C1[OH2+])C=N[N-]C(=[SH+])N.C1=CC2=C(C3=C(C=CC=N3)C=C2)N=C1.[Cu+2]

InChI

InChI=1S/C12H8N2.C9H11N3O2S.Cu/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-14-7-4-2-3-6(8(7)13)5-11-12-9(10)15;/h1-8H;2-5H,1H3,(H4,10,11,12,13,15);/q;;+2/p+1