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

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-phenyl-carbamimidothioate; iron(2+) Openeye Name: ferrous N-[bis(2-pyridyl)methyleneamino]-N'-phenyl-carbamimidothioate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-phenylcarbamimidothioate; iron(2+) IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-phenylcarbamimidothioate; iron(2+) Traditional Name: ferrous N-[bis(2-pyridyl)methyleneamino]-N'-phenyl-carbamimidothioate Formula: C36H28FeN10S2 MolecularWeight: 720.64952

Click to see the large picture

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-].[Fe+2]

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-].[Fe+2]

InChI

InChI=1S/2C18H15N5S.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;/h2*1-13H,(H2,21,23,24);/q;;+2/p-2