2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine

Systemtic Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine Openeye Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine CAS Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine IUPAC Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine Traditional Name: 2-[(E)-1,3-benzothiazol-3-id-2-ylidenemethyl]-1,3-benzothiazole; iridium; 2-phenylpyridine Formula: C26H17IrN3S2-2 MolecularWeight: 627.78028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C2C(=C1)[N-]C(=CC3=NC4=CC=CC=C4S3)S2.[Ir]

Isomeric SMILES

C1=CC=C([C-]=C1)C2=CC=CC=N2.C1=CC=C2C(=C1)[N-]/C(=C\C3=NC4=CC=CC=C4S3)/S2.[Ir]

InChI

InChI=1S/C15H9N2S2.C11H8N.Ir/c1-3-7-12-10(5-1)16-14(18-12)9-15-17-11-6-2-4-8-13(11)19-15;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h1-9H;1-6,8-9H;/q2*-1;/b14-9+;;