copper (NE,1Z)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate isothiocyanate

Systemtic Name: copper (NE,1Z)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate isothiocyanate Openeye Name: copper (NE,1Z)-N-[1-(2-pyridyl)ethylidene]azepane-1-carbohydrazonothioate isothiocyanate CAS Name: copper (NE,1Z)-N-[1-(2-pyridinyl)ethylidene]-1-azepanecarbohydrazonothioate isothiocyanate IUPAC Name: copper (NE,1Z)-N-(1-pyridin-2-ylethylidene)azepane-1-carbohydrazonothioate isothiocyanate Traditional Name: cupric (NE,1Z)-N-[1-(2-pyridyl)ethylidene]azepane-1-carbohydrazonothioate isothiocyanate Formula: C15H19CuN5S2 MolecularWeight: 397.02086

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NN=C(N1CCCCCC1)[S-])C2=CC=CC=N2.C(=[N-])=S.[Cu+2]

Isomeric SMILES

C/C(=N\N=C(\N1CCCCCC1)/[S-])/C2=CC=CC=N2.C(=[N-])=S.[Cu+2]

InChI

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