(Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole

Systemtic Name: (Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Openeye Name: (Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole CAS Name: (Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxy-1-naphthalenyl)benzotriazole IUPAC Name: (Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxynaphthalen-1-yl)benzotriazole Traditional Name: (Z)-N-(1,3-benzothiazol-2-yl)benzenecarboximidate; iridium; 2-(4-methoxy-1-naphthyl)benzotriazole Formula: C48H35IrN8O3S- MolecularWeight: 996.1253

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)C(=NC2=NC3=CC=CC=C3S2)[O-].[Ir]

Isomeric SMILES

COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.COC1=CC=C(C2=CC=CC=C21)N3N=C4C=CC=CC4=N3.C1=CC=C(C=C1)/C(=N/C2=NC3=CC=CC=C3S2)/[O-].[Ir]

InChI

InChI=1S/2C17H13N3O.C14H10N2OS.Ir/c2*1-21-17-11-10-16(12-6-2-3-7-13(12)17)20-18-14-8-4-5-9-15(14)19-20;17-13(10-6-2-1-3-7-10)16-14-15-11-8-4-5-9-12(11)18-14;/h2*2-11H,1H3;1-9H,(H,15,16,17);/p-1