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

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-ethyl-carbamimidothioate; iron(2+) Openeye Name: ferrous N-[bis(2-pyridyl)methyleneamino]-N'-ethyl-carbamimidothioate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-ethylcarbamimidothioate; iron(2+) IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-ethylcarbamimidothioate; iron(2+) Traditional Name: ferrous N-[bis(2-pyridyl)methyleneamino]-N'-ethyl-carbamimidothioate Formula: C28H28FeN10S2 MolecularWeight: 624.56392

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[Fe+2]

Isomeric SMILES

CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].CCN=C(NN=C(C1=CC=CC=N1)C2=CC=CC=N2)[S-].[Fe+2]

InChI

InChI=1S/2C14H15N5S.Fe/c2*1-2-15-14(20)19-18-13(11-7-3-5-9-16-11)12-8-4-6-10-17-12;/h2*3-10H,2H2,1H3,(H2,15,19,20);/q;;+2/p-2