bis(chloranyl)iron; (NE,1E)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate

Systemtic Name: bis(chloranyl)iron; (NE,1E)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate Openeye Name: dichloroiron; (NE,1E)-N-[1-(2-pyridyl)ethylidene]azepane-1-carbohydrazonothioate CAS Name: dichloroiron; (NE,1E)-N-[1-(2-pyridinyl)ethylidene]-1-azepanecarbohydrazonothioate IUPAC Name: dichloroiron; (NE,1E)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate Traditional Name: dichloroiron; (NE,1E)-N-[1-(2-pyridyl)ethylidene]azepane-1-carbohydrazonothioate Formula: C14H19Cl2FeN4S- MolecularWeight: 402.14346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N1CCCCCC1)[S-])C2=CC=CC=N2.Cl[Fe]Cl

Isomeric SMILES

C/C(=N\N=C(/N1CCCCCC1)\[S-])/C2=CC=CC=N2.Cl[Fe]Cl

InChI

InChI=1S/C14H20N4S.2ClH.Fe/c1-12(13-8-4-5-9-15-13)16-17-14(19)18-10-6-2-3-7-11-18;;;/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,19);2*1H;/q;;;+2/p-3/b16-12+;;;