iron(3+); N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate; nitrate

Systemtic Name: iron(3+); N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate; nitrate Openeye Name: ferric N'-[(E)-2-pyridylmethyleneamino]carbamimidothioate nitrate CAS Name: iron(3+); N'-[(E)-2-pyridinylmethylideneamino]carbamimidothioate; nitrate IUPAC Name: iron(3+); N'-[(E)-pyridin-2-ylmethylideneamino]carbamimidothioate; nitrate Traditional Name: ferric N'-[(E)-2-pyridylmethyleneamino]carbamimidothioate nitrate Formula: C14H14FeN9O3S2 MolecularWeight: 476.29446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C7H8N4S.Fe.NO3/c2*8-7(12)11-10-5-6-3-1-2-4-9-6;;2-1(3)4/h2*1-5H,(H3,8,11,12);;/q;;+3;-1/p-2/b2*10-5+;;