cobalt(2+); 2-[(phenylcarbonylcarbamothioylamino)carbamoyl]phenolate; thiocyanate

Systemtic Name: cobalt(2+); 2-[(phenylcarbonylcarbamothioylamino)carbamoyl]phenolate; thiocyanate Openeye Name: cobaltous 2-[(benzoylcarbamothioylamino)carbamoyl]phenolate thiocyanate CAS Name: 2-[[[benzamido(sulfanylidene)methyl]hydrazo]-oxomethyl]phenolate; cobalt(2+); thiocyanate IUPAC Name: 2-[(benzoylcarbamothioylamino)carbamoyl]phenolate; cobalt(2+); thiocyanate Traditional Name: cobaltous 2-[(benzoylthiocarbamoylamino)carbamoyl]phenolate thiocyanate Formula: C16H12CoN4O3S2 MolecularWeight: 431.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N3O3S.CHNS.Co/c19-12-9-5-4-8-11(12)14(21)17-18-15(22)16-13(20)10-6-2-1-3-7-10;2-1-3;/h1-9,19H,(H,17,21)(H2,16,18,20,22);3H;/q;;+2/p-2