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

Systemtic Name: iron(2+); N-(pyridin-2-ylcarbonylamino)carbamodithioate Openeye Name: ferrous N-(pyridine-2-carbonylamino)carbamodithioate CAS Name: iron(2+); N-[[oxo(2-pyridinyl)methyl]amino]carbamodithioate IUPAC Name: iron(2+); N-(pyridine-2-carbonylamino)carbamodithioate Traditional Name: ferrous N-picolinamidocarbamodithioate Formula: C14H12FeN6O2S4 MolecularWeight: 480.38908

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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-].[Fe+2]

Isomeric SMILES

C1=CC=NC(=C1)C(=O)NNC(=S)[S-].C1=CC=NC(=C1)C(=O)NNC(=S)[S-].[Fe+2]

InChI

InChI=1S/2C7H7N3OS2.Fe/c2*11-6(9-10-7(12)13)5-3-1-2-4-8-5;/h2*1-4H,(H,9,11)(H2,10,12,13);/q;;+2/p-2