iron(3+); N'-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate

Systemtic Name: iron(3+); N'-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Openeye Name: ferric N'-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate CAS Name: iron(3+); N'-phenyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; perchlorate IUPAC Name: iron(3+); N'-phenyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Traditional Name: ferric N'-phenyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate Formula: C28H26ClFeN8O4S2 MolecularWeight: 693.98524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NC1=CC=CC=C1)[S-])C2=CC=CC=N2.CC(=NNC(=NC1=CC=CC=C1)[S-])C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C/C(=N\NC(=NC1=CC=CC=C1)[S-])/C2=CC=CC=N2.C/C(=N\NC(=NC1=CC=CC=C1)[S-])/C2=CC=CC=N2.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/2C14H14N4S.ClHO4.Fe/c2*1-11(13-9-5-6-10-15-13)17-18-14(19)16-12-7-3-2-4-8-12;2-1(3,4)5;/h2*2-10H,1H3,(H2,16,18,19);(H,2,3,4,5);/q;;;+3/p-3/b2*17-11+;;