3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium Openeye Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium CAS Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-1-benzopyran-4-id-2-one; iridium IUPAC Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium Traditional Name: 3-(1,3-benzothiazol-2-yl)-7-(diethylamino)-4H-chromen-4-id-2-one; iridium Formula: C20H17IrN2O2S- MolecularWeight: 541.64318

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.[Ir]

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)[C-]=C(C(=O)O2)C3=NC4=CC=CC=C4S3.[Ir]

InChI

InChI=1S/C20H17N2O2S.Ir/c1-3-22(4-2)14-10-9-13-11-15(20(23)24-17(13)12-14)19-21-16-7-5-6-8-18(16)25-19;/h5-10,12H,3-4H2,1-2H3;/q-1;