N-(dipyridin-2-ylmethylideneamino)-N'-methyl-carbamimidothioate; iron(3+); perchlorate

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-methyl-carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-methyl-carbamimidothioate perchlorate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-methylcarbamimidothioate; iron(3+); perchlorate IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-methylcarbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-methyl-carbamimidothioate perchlorate Formula: C26H24ClFeN10O4S2 MolecularWeight: 695.96136

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].CN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

CN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].CN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/2C13H13N5S.ClHO4.Fe/c2*1-14-13(19)18-17-12(10-6-2-4-8-15-10)11-7-3-5-9-16-11;2-1(3,4)5;/h2*2-9H,1H3,(H2,14,18,19);(H,2,3,4,5);/q;;;+3/p-3