cobalt(2+); 3-cyano-4,6-diphenyl-pyridine-2-thiolate

Systemtic Name: cobalt(2+); 3-cyano-4,6-diphenyl-pyridine-2-thiolate Openeye Name: cobaltous 3-cyano-4,6-diphenyl-pyridine-2-thiolate CAS Name: cobalt(2+); 3-cyano-4,6-diphenyl-2-pyridinethiolate IUPAC Name: cobalt(2+); 3-cyano-4,6-diphenylpyridine-2-thiolate Traditional Name: cobaltous 3-cyano-4,6-diphenyl-pyridine-2-thiolate Formula: C36H22CoN4S2 MolecularWeight: 633.64988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3.[Co+2]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3.C1=CC=C(C=C1)C2=CC(=NC(=C2C#N)[S-])C3=CC=CC=C3.[Co+2]

InChI

InChI=1S/2C18H12N2S.Co/c2*19-12-16-15(13-7-3-1-4-8-13)11-17(20-18(16)21)14-9-5-2-6-10-14;/h2*1-11H,(H,20,21);/q;;+2/p-2