N-(4-bromanyl-2-fluoranyl-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-bromo-2-fluorophenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C13H10BrFN3O3S2+ MolecularWeight: 419.269203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CC1=C(C(=O)[N+]2=C(N1)SC=C2)S(=O)(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C13H9BrFN3O3S2/c1-7-11(12(19)18-4-5-22-13(18)16-7)23(20,21)17-10-3-2-8(14)6-9(10)15/h2-6,17H,1H3/p+1