iron(3+); N-(pyridin-2-ylcarbonylamino)carbamodithioate

Systemtic Name: iron(3+); N-(pyridin-2-ylcarbonylamino)carbamodithioate Openeye Name: ferric N-(pyridine-2-carbonylamino)carbamodithioate CAS Name: iron(3+); N-[[oxo(2-pyridinyl)methyl]amino]carbamodithioate IUPAC Name: iron(3+); N-(pyridine-2-carbonylamino)carbamodithioate Traditional Name: ferric N-picolinamidocarbamodithioate Formula: C21H18FeN9O3S6 MolecularWeight: 692.66112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C7H7N3OS2.Fe/c3*11-6(9-10-7(12)13)5-3-1-2-4-8-5;/h3*1-4H,(H,9,11)(H2,10,12,13);/q;;;+3/p-3