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

Systemtic Name: iron(3+); N'-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Openeye Name: ferric N'-methyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate CAS Name: iron(3+); N'-methyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; perchlorate IUPAC Name: iron(3+); N'-methyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Traditional Name: ferric N'-methyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate Formula: C18H22ClFeN8O4S2 MolecularWeight: 569.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NC)[S-])C1=CC=CC=N1.CC(=NNC(=NC)[S-])C1=CC=CC=N1.[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C/C(=N\NC(=NC)[S-])/C1=CC=CC=N1.C/C(=N\NC(=NC)[S-])/C1=CC=CC=N1.[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/2C9H12N4S.ClHO4.Fe/c2*1-7(12-13-9(14)10-2)8-5-3-4-6-11-8;2-1(3,4)5;/h2*3-6H,1-2H3,(H2,10,13,14);(H,2,3,4,5);/q;;;+3/p-3/b2*12-7+;;