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

Systemtic Name: N'-ethyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N'-ethyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate CAS Name: N'-ethyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate; iron(3+); perchlorate IUPAC Name: N'-ethyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N'-ethyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate perchlorate Formula: C20H26ClFeN8O4S2 MolecularWeight: 597.89964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H14N4S.ClHO4.Fe/c2*1-3-11-10(15)14-13-8(2)9-6-4-5-7-12-9;2-1(3,4)5;/h2*4-7H,3H2,1-2H3,(H2,11,14,15);(H,2,3,4,5);/q;;;+3/p-3/b2*13-8+;;