iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine

Systemtic Name: iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine Openeye Name: iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine CAS Name: iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)-3-pyrazol-2-idyl]pyridine IUPAC Name: iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine Traditional Name: iridium; 2-phenyl-1,3-benzothiazole; 2-[5-(trifluoromethyl)pyrazol-2-id-3-yl]pyridine Formula: C22H13F3IrN4S-2 MolecularWeight: 614.64263

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=NC(=C1)C2=CC(=N[N-]2)C(F)(F)F.[Ir]

Isomeric SMILES

C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=NC(=C1)C2=CC(=N[N-]2)C(F)(F)F.[Ir]

InChI

InChI=1S/C13H8NS.C9H5F3N3.Ir/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;10-9(11,12)8-5-7(14-15-8)6-3-1-2-4-13-6;/h1-6,8-9H;1-5H;/q2*-1;