N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enyl-carbamimidothioate; iron(3+); perchlorate

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enyl-carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N'-allyl-N-[bis(2-pyridyl)methyleneamino]carbamimidothioate perchlorate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-prop-2-enylcarbamimidothioate; iron(3+); perchlorate IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enylcarbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N'-allyl-N-[bis(2-pyridyl)methyleneamino]carbamimidothioate perchlorate Formula: C30H28ClFeN10O4S2 MolecularWeight: 748.03592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].C=CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C=CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].C=CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/2C15H15N5S.ClHO4.Fe/c2*1-2-9-18-15(21)20-19-14(12-7-3-5-10-16-12)13-8-4-6-11-17-13;2-1(3,4)5;/h2*2-8,10-11H,1,9H2,(H2,18,20,21);(H,2,3,4,5);/q;;;+3/p-3