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

Systemtic Name: N'-(dipyridin-2-ylmethylideneamino)carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N'-[bis(2-pyridyl)methyleneamino]carbamimidothioate perchlorate CAS Name: N'-[bis(2-pyridinyl)methylideneamino]carbamimidothioate; iron(3+); perchlorate IUPAC Name: N'-(dipyridin-2-ylmethylideneamino)carbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N'-[bis(2-pyridyl)methyleneamino]carbamimidothioate perchlorate Formula: C24H20ClFeN10O4S2 MolecularWeight: 667.9082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C12H11N5S.ClHO4.Fe/c2*13-12(18)17-16-11(9-5-1-3-7-14-9)10-6-2-4-8-15-10;2-1(3,4)5;/h2*1-8H,(H3,13,17,18);(H,2,3,4,5);/q;;;+3/p-3