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

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-ethyl-carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-ethyl-carbamimidothioate perchlorate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-ethylcarbamimidothioate; iron(3+); perchlorate IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-ethylcarbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-ethyl-carbamimidothioate perchlorate Formula: C28H28ClFeN10O4S2 MolecularWeight: 724.01452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H15N5S.ClHO4.Fe/c2*1-2-15-14(20)19-18-13(11-7-3-5-9-16-11)12-8-4-6-10-17-12;2-1(3,4)5;/h2*3-10H,2H2,1H3,(H2,15,19,20);(H,2,3,4,5);/q;;;+3/p-3