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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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