chloranylcopper(1+); (NE,1Z)-N-[phenyl(pyridin-2-yl)methylidene]azepane-1-carbohydrazonothioate

Systemtic Name: chloranylcopper(1+); (NE,1Z)-N-[phenyl(pyridin-2-yl)methylidene]azepane-1-carbohydrazonothioate Openeye Name: chlorocopper(1+); (NE,1Z)-N-[phenyl(2-pyridyl)methylene]azepane-1-carbohydrazonothioate CAS Name: chlorocopper(1+); (NE,1Z)-N-[phenyl(2-pyridinyl)methylidene]-1-azepanecarbohydrazonothioate IUPAC Name: chlorocopper(1+); (NE,1Z)-N-[phenyl(pyridin-2-yl)methylidene]azepane-1-carbohydrazonothioate Traditional Name: chlorocopper(1+); (NE,1Z)-N-[phenyl(2-pyridyl)methylene]azepane-1-carbohydrazonothioate Formula: C19H21ClCuN4S MolecularWeight: 436.46084

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NN=C(C2=CC=CC=C2)C3=CC=CC=N3)[S-].Cl[Cu+]

Isomeric SMILES

C1CCCN(CC1)/C(=N/N=C(\C2=CC=CC=C2)/C3=CC=CC=N3)/[S-].Cl[Cu+]

InChI

InChI=1S/C19H22N4S.ClH.Cu/c24-19(23-14-8-1-2-9-15-23)22-21-18(16-10-4-3-5-11-16)17-12-6-7-13-20-17;;/h3-7,10-13H,1-2,8-9,14-15H2,(H,22,24);1H;/q;;+2/p-2/b21-18+;;