chloranylcopper(1+); (NE,1Z)-N-(pyrazin-2-ylmethylidene)azepane-1-carbohydrazonothioate

Systemtic Name: chloranylcopper(1+); (NE,1Z)-N-(pyrazin-2-ylmethylidene)azepane-1-carbohydrazonothioate Openeye Name: chlorocopper(1+); (NE,1Z)-N-(pyrazin-2-ylmethylene)azepane-1-carbohydrazonothioate CAS Name: chlorocopper(1+); (NE,1Z)-N-(2-pyrazinylmethylidene)-1-azepanecarbohydrazonothioate IUPAC Name: chlorocopper(1+); (NE,1Z)-N-(pyrazin-2-ylmethylidene)azepane-1-carbohydrazonothioate Traditional Name: chlorocopper(1+); (NE,1Z)-N-(pyrazin-2-ylmethylene)azepane-1-carbohydrazonothioate Formula: C12H16ClCuN5S MolecularWeight: 361.35294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=NN=CC2=NC=CN=C2)[S-].Cl[Cu+]

Isomeric SMILES

C1CCCN(CC1)/C(=N/N=C/C2=NC=CN=C2)/[S-].Cl[Cu+]

InChI

InChI=1S/C12H17N5S.ClH.Cu/c18-12(17-7-3-1-2-4-8-17)16-15-10-11-9-13-5-6-14-11;;/h5-6,9-10H,1-4,7-8H2,(H,16,18);1H;/q;;+2/p-2/b15-10+;;