iron(3+); N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate; chloride

Systemtic Name: iron(3+); N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate; chloride Openeye Name: ferric N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate chloride CAS Name: iron(3+); N'-methyl-N-[(E)-1-(2-pyrazinyl)ethylideneamino]carbamimidothioate; chloride IUPAC Name: iron(3+); N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate; chloride Traditional Name: ferric N'-methyl-N-[(E)-1-pyrazin-2-ylethylideneamino]carbamimidothioate chloride Formula: C16H20ClFeN10S2 MolecularWeight: 507.825

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NC)[S-])C1=NC=CN=C1.CC(=NNC(=NC)[S-])C1=NC=CN=C1.[Cl-].[Fe+3]

Isomeric SMILES

C/C(=N\NC(=NC)[S-])/C1=NC=CN=C1.C/C(=N\NC(=NC)[S-])/C1=NC=CN=C1.[Cl-].[Fe+3]

InChI

InChI=1S/2C8H11N5S.ClH.Fe/c2*1-6(12-13-8(14)9-2)7-5-10-3-4-11-7;;/h2*3-5H,1-2H3,(H2,9,13,14);1H;/q;;;+3/p-3/b2*12-6+;;