calcium N,N-diethylpyridine-3-carboxamide dithiocyanate

Systemtic Name: calcium N,N-diethylpyridine-3-carboxamide dithiocyanate Openeye Name: calcium N,N-diethylpyridine-3-carboxamide dithiocyanate CAS Name: calcium N,N-diethyl-3-pyridinecarboxamide dithiocyanate IUPAC Name: calcium N,N-diethylpyridine-3-carboxamide dithiocyanate Traditional Name: calcium N,N-diethylnicotinamide dithiocyanate Formula: C22H28CaN6O2S2 MolecularWeight: 512.70472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CN=CC=C1.CCN(CC)C(=O)C1=CN=CC=C1.C(#N)[S-].C(#N)[S-].[Ca+2]

Isomeric SMILES

CCN(CC)C(=O)C1=CN=CC=C1.CCN(CC)C(=O)C1=CN=CC=C1.C(#N)[S-].C(#N)[S-].[Ca+2]

InChI

InChI=1S/2C10H14N2O.2CHNS.Ca/c2*1-3-12(4-2)10(13)9-6-5-7-11-8-9;2*2-1-3;/h2*5-8H,3-4H2,1-2H3;2*3H;/q;;;;+2/p-2