2,6-dipyridin-2-ylpyridine; 4-methylbenzenethiolate; platinum(2+); chloride

Systemtic Name: 2,6-dipyridin-2-ylpyridine; 4-methylbenzenethiolate; platinum(2+); chloride Openeye Name: 2,6-bis(2-pyridyl)pyridine; 4-methylbenzenethiolate; platinum(2+); chloride CAS Name: 2,6-bis(2-pyridinyl)pyridine; 4-methylbenzenethiolate; platinum(2+); chloride IUPAC Name: 2,6-dipyridin-2-ylpyridine; 4-methylbenzenethiolate; platinum(2+); chloride Traditional Name: 2,6-bis(2-pyridyl)pyridine; 4-methylbenzenethiolate; platinum(2+); chloride Formula: C22H18ClN3PtS MolecularWeight: 586.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[S-].C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Cl-].[Pt+2]

Isomeric SMILES

CC1=CC=C(C=C1)[S-].C1=CC=NC(=C1)C2=NC(=CC=C2)C3=CC=CC=N3.[Cl-].[Pt+2]

InChI

InChI=1S/C15H11N3.C7H8S.ClH.Pt/c1-3-10-16-12(6-1)14-8-5-9-15(18-14)13-7-2-4-11-17-13;1-6-2-4-7(8)5-3-6;;/h1-11H;2-5,8H,1H3;1H;/q;;;+2/p-2