cobalt(2+); 4-methylpyridine; dithiocyanate

Systemtic Name: cobalt(2+); 4-methylpyridine; dithiocyanate Openeye Name: cobaltous 4-methylpyridine dithiocyanate CAS Name: cobalt(2+); 4-methylpyridine; dithiocyanate IUPAC Name: cobalt(2+); 4-methylpyridine; dithiocyanate Traditional Name: cobaltous $g-picoline dithiocyanate Formula: C26H28CoN6S2 MolecularWeight: 547.60392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.C(#N)[S-].C(#N)[S-].[Co+2]

Isomeric SMILES

CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.CC1=CC=NC=C1.C(#N)[S-].C(#N)[S-].[Co+2]

InChI

InChI=1S/4C6H7N.2CHNS.Co/c4*1-6-2-4-7-5-3-6;2*2-1-3;/h4*2-5H,1H3;2*3H;/q;;;;;;+2/p-2