benzenethiolate; 2,6-dipyridin-2-ylpyridine; platinum(2+); chloride

Systemtic Name: benzenethiolate; 2,6-dipyridin-2-ylpyridine; platinum(2+); chloride Openeye Name: benzenethiolate; 2,6-bis(2-pyridyl)pyridine; platinum(2+); chloride CAS Name: benzenethiolate; 2,6-bis(2-pyridinyl)pyridine; platinum(2+); chloride IUPAC Name: benzenethiolate; 2,6-dipyridin-2-ylpyridine; platinum(2+); chloride Traditional Name: benzenethiolate; 2,6-bis(2-pyridyl)pyridine; platinum(2+); chloride Formula: C21H16ClN3PtS MolecularWeight: 572.96784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[S-].C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Cl-].[Pt+2]

Isomeric SMILES

C1=CC=C(C=C1)[S-].C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Cl-].[Pt+2]

InChI

InChI=1S/C15H11N3.C6H6S.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;7-6-4-2-1-3-5-6;;/h1-11H;1-5,7H;1H;/q;;;+2/p-2