N-[(E)-1-[6-[(E)-N-benzamido-C-methyl-carbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide; iron(3+); sulfate

Systemtic Name: N-[(E)-1-[6-[(E)-N-benzamido-C-methyl-carbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide; iron(3+); sulfate Openeye Name: ferric N-[(E)-1-[6-[(E)-N-benzamido-C-methyl-carbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide sulfate CAS Name: N-[(E)-1-[6-[(1E)-1-(benzoylhydrazinylidene)ethyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide; iron(3+); sulfate IUPAC Name: N-[(E)-1-[6-[(E)-N-benzamido-C-methylcarbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide; iron(3+); sulfate Traditional Name: ferric N-[(E)-1-[6-[(E)-N-benzamido-C-methyl-carbonimidoyl]-2H-pyridin-1-id-2-yl]ethylideneamino]benzamide sulfate Formula: C23H22FeN5O6S MolecularWeight: 552.36068

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC=CC=C1)C2C=CC=C([N-]2)C(=NNC(=O)C3=CC=CC=C3)C.[O-]S(=O)(=O)[O-].[Fe+3]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC=CC=C1)/C2C=CC=C([N-]2)/C(=N/NC(=O)C3=CC=CC=C3)/C.[O-]S(=O)(=O)[O-].[Fe+3]

InChI

InChI=1S/C23H22N5O2.Fe.H2O4S/c1-16(25-27-22(29)18-10-5-3-6-11-18)20-14-9-15-21(24-20)17(2)26-28-23(30)19-12-7-4-8-13-19;;1-5(2,3)4/h3-15,20H,1-2H3,(H,27,29)(H,28,30);;(H2,1,2,3,4)/q-1;+3;/p-2/b25-16+,26-17+;;