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

Systemtic Name: iron(3+); N'-prop-2-enyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Openeye Name: ferric N'-allyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate CAS Name: iron(3+); N'-prop-2-enyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; perchlorate IUPAC Name: iron(3+); N'-prop-2-enyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; perchlorate Traditional Name: ferric N'-allyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate Formula: C22H26ClFeN8O4S2 MolecularWeight: 621.92104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C11H14N4S.ClHO4.Fe/c2*1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10;2-1(3,4)5;/h2*3-6,8H,1,7H2,2H3,(H2,13,15,16);(H,2,3,4,5);/q;;;+3/p-3/b2*14-9+;;