iridium(3-); (6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one; 2-phenyl-1,3-benzothiazole

Systemtic Name: iridium(3-); (6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one; 2-phenyl-1,3-benzothiazole Openeye Name: iridium(3-); (6Z)-6-(methylaminomethylene)cyclohexa-2,4-dien-1-one; 2-phenyl-1,3-benzothiazole CAS Name: iridium(3-); (6Z)-6-(methylaminomethylidene)-1-cyclohexa-2,4-dienone; 2-phenyl-1,3-benzothiazole IUPAC Name: iridium(3-); (6Z)-6-(methylaminomethylidene)cyclohexa-2,4-dien-1-one; 2-phenyl-1,3-benzothiazole Traditional Name: iridium(3-); (6Z)-6-(methylaminomethylene)cyclohexa-2,4-dien-1-one; 2-phenyl-1,3-benzothiazole Formula: C34H25IrN3OS2-5 MolecularWeight: 747.9288

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Descriptors Computed from Structure

Canonical SMILES:

CNC=C1C=CC=CC1=O.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir-3]

Isomeric SMILES

CN/C=C\1/C=CC=CC1=O.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.C1=CC=C([C-]=C1)C2=NC3=CC=CC=C3S2.[Ir-3]

InChI

InChI=1S/2C13H8NS.C8H9NO.Ir/c2*1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13;1-9-6-7-4-2-3-5-8(7)10;/h2*1-6,8-9H;2-6,9H,1H3;/q2*-1;;-3/b;;7-6-;