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

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-phenyl-carbamimidothioate; iron(3+); perchlorate Openeye Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-phenyl-carbamimidothioate perchlorate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-phenylcarbamimidothioate; iron(3+); perchlorate IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-phenylcarbamimidothioate; iron(3+); perchlorate Traditional Name: ferric N-[bis(2-pyridyl)methyleneamino]-N'-phenyl-carbamimidothioate perchlorate Formula: C36H28ClFeN10O4S2 MolecularWeight: 820.10012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C(NN=C(C2=CC=CC=N2)C3=CC=CC=N3)[S-].C1=CC=C(C=C1)N=C(NN=C(C2=CC=CC=N2)C3=CC=CC=N3)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

Isomeric SMILES

C1=CC=C(C=C1)N=C(NN=C(C2=CC=CC=N2)C3=CC=CC=N3)[S-].C1=CC=C(C=C1)N=C(NN=C(C2=CC=CC=N2)C3=CC=CC=N3)[S-].[O-]Cl(=O)(=O)=O.[Fe+3]

InChI

InChI=1S/2C18H15N5S.ClHO4.Fe/c2*24-18(21-14-8-2-1-3-9-14)23-22-17(15-10-4-6-12-19-15)16-11-5-7-13-20-16;2-1(3,4)5;/h2*1-13H,(H2,21,23,24);(H,2,3,4,5);/q;;;+3/p-3