iron(2+); N'-prop-2-enyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate

Systemtic Name: iron(2+); N'-prop-2-enyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate Openeye Name: ferrous N'-allyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate CAS Name: iron(2+); N'-prop-2-enyl-N-[(E)-1-(2-pyridinyl)ethylideneamino]carbamimidothioate IUPAC Name: iron(2+); N'-prop-2-enyl-N-[(E)-1-pyridin-2-ylethylideneamino]carbamimidothioate Traditional Name: ferrous N'-allyl-N-[(E)-1-(2-pyridyl)ethylideneamino]carbamimidothioate Formula: C22H26FeN8S2 MolecularWeight: 522.47044

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=NCC=C)[S-])C1=CC=CC=N1.CC(=NNC(=NCC=C)[S-])C1=CC=CC=N1.[Fe+2]

Isomeric SMILES

C/C(=N\NC(=NCC=C)[S-])/C1=CC=CC=N1.C/C(=N\NC(=NCC=C)[S-])/C1=CC=CC=N1.[Fe+2]

InChI

InChI=1S/2C11H14N4S.Fe/c2*1-3-7-13-11(16)15-14-9(2)10-6-4-5-8-12-10;/h2*3-6,8H,1,7H2,2H3,(H2,13,15,16);/q;;+2/p-2/b2*14-9+;