3-oxidanyl-5-oxidanylidene-3,7-diphenyl-6-pyridin-1-ium-1-yl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile bromide

Systemtic Name: 3-oxidanyl-5-oxidanylidene-3,7-diphenyl-6-pyridin-1-ium-1-yl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile bromide Openeye Name: 3-hydroxy-5-oxo-3,7-diphenyl-6-pyridin-1-ium-1-yl-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile bromide CAS Name: 3-hydroxy-5-oxo-3,7-diphenyl-6-(1-pyridin-1-iumyl)-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile bromide IUPAC Name: 3-hydroxy-5-oxo-3,7-diphenyl-6-pyridin-1-ium-1-yl-6,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyridine-8-carbonitrile bromide Traditional Name: 3-hydroxy-5-keto-3,7-diphenyl-6-pyridin-1-ium-1-yl-6,7-dihydro-2H-thiazolo[3,2-a]pyridine-8-carbonitrile bromide Formula: C25H20BrN3O2S MolecularWeight: 506.4142

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N2C(=O)C(C(C(=C2S1)C#N)C3=CC=CC=C3)[N+]4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

Isomeric SMILES

C1C(N2C(=O)C(C(C(=C2S1)C#N)C3=CC=CC=C3)[N+]4=CC=CC=C4)(C5=CC=CC=C5)O.[Br-]

InChI

InChI=1S/C25H20N3O2S.BrH/c26-16-20-21(18-10-4-1-5-11-18)22(27-14-8-3-9-15-27)23(29)28-24(20)31-17-25(28,30)19-12-6-2-7-13-19;/h1-15,21-22,30H,17H2;1H/q+1;/p-1