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

Systemtic Name: iron(3+); N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Openeye Name: ferric N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate CAS Name: iron(3+); N'-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; perchlorate IUPAC Name: iron(3+); N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Traditional Name: ferric N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate Formula: C16H18ClFeN8O4S2 MolecularWeight: 541.79332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C8H10N4S.ClHO4.Fe/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;2-1(3,4)5;/h2*2-5H,1H3,(H3,9,12,13);(H,2,3,4,5);/q;;;+3/p-3/b2*11-6+;;