iron(2+); 6-pyridin-1-ium-2-ylpyridine-2-carbothioamide

Systemtic Name: iron(2+); 6-pyridin-1-ium-2-ylpyridine-2-carbothioamide Openeye Name: ferrous 6-pyridin-1-ium-2-ylpyridine-2-carbothioamide CAS Name: iron(2+); 6-(2-pyridin-1-iumyl)-2-pyridinecarbothioamide IUPAC Name: iron(2+); 6-pyridin-1-ium-2-ylpyridine-2-carbothioamide Traditional Name: ferrous 6-pyridin-1-ium-2-ylthiopicolinamide Formula: C22H20FeN6S2+4 MolecularWeight: 488.4094

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)C2=NC(=CC=C2)C(=S)N.C1=CC=[NH+]C(=C1)C2=NC(=CC=C2)C(=S)N.[Fe+2]

Isomeric SMILES

C1=CC=[NH+]C(=C1)C2=NC(=CC=C2)C(=S)N.C1=CC=[NH+]C(=C1)C2=NC(=CC=C2)C(=S)N.[Fe+2]

InChI

InChI=1S/2C11H9N3S.Fe/c2*12-11(15)10-6-3-5-9(14-10)8-4-1-2-7-13-8;/h2*1-7H,(H2,12,15);/q;;+2/p+2