copper N-[(E)-1-pyridin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide

Systemtic Name: copper N-[(E)-1-pyridin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Openeye Name: copper N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide CAS Name: copper N-[(E)-1-(2-pyridinyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide IUPAC Name: copper N-[(E)-1-pyridin-2-ylethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Traditional Name: cupric N-[(E)-1-(2-pyridyl)ethylideneamino]-3-azabicyclo[3.2.2]nonane-3-carbothioamide Formula: C16H22CuN4S+2 MolecularWeight: 365.98368

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N1CC2CCC(C1)CC2)C3=CC=CC=N3.[Cu+2]

Isomeric SMILES

C/C(=N\NC(=S)N1CC2CCC(C1)CC2)/C3=CC=CC=N3.[Cu+2]

InChI

InChI=1S/C16H22N4S.Cu/c1-12(15-4-2-3-9-17-15)18-19-16(21)20-10-13-5-6-14(11-20)8-7-13;/h2-4,9,13-14H,5-8,10-11H2,1H3,(H,19,21);/q;+2/b18-12+;