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

Systemtic Name: N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enyl-carbamimidothioate; iron(2+) Openeye Name: ferrous N'-allyl-N-[bis(2-pyridyl)methyleneamino]carbamimidothioate CAS Name: N-[bis(2-pyridinyl)methylideneamino]-N'-prop-2-enylcarbamimidothioate; iron(2+) IUPAC Name: N-(dipyridin-2-ylmethylideneamino)-N'-prop-2-enylcarbamimidothioate; iron(2+) Traditional Name: ferrous N'-allyl-N-[bis(2-pyridyl)methyleneamino]carbamimidothioate Formula: C30H28FeN10S2 MolecularWeight: 648.58532

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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-].[Fe+2]

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-].[Fe+2]

InChI

InChI=1S/2C15H15N5S.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;/h2*2-8,10-11H,1,9H2,(H2,18,20,21);/q;;+2/p-2