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

Systemtic Name: iron(3+); N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; nitrate Openeye Name: ferric N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate CAS Name: iron(3+); N'-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; nitrate IUPAC Name: iron(3+); N'-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; nitrate Traditional Name: ferric N'-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate nitrate Formula: C16H18FeN9O3S2 MolecularWeight: 504.34762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/2C8H10N4S.Fe.NO3/c2*1-6(11-12-8(9)13)7-4-2-3-5-10-7;;2-1(3)4/h2*2-5H,1H3,(H3,9,12,13);;/q;;+3;-1/p-2/b2*11-6+;;