N-(4-bromophenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide

Systemtic Name: N-(4-bromophenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Openeye Name: N-(4-bromophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide CAS Name: N-(4-bromophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide IUPAC Name: N-(4-bromophenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Traditional Name: N-(4-bromophenyl)-5-keto-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-carboxamide Formula: C13H9BrN3O2S+ MolecularWeight: 351.19846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CNC3=[N+](C2=O)C=CS3)Br

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CNC3=[N+](C2=O)C=CS3)Br

InChI

InChI=1S/C13H8BrN3O2S/c14-8-1-3-9(4-2-8)16-11(18)10-7-15-13-17(12(10)19)5-6-20-13/h1-7H,(H,16,18)/p+1