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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H13BrN3O3S2+ MolecularWeight: 415.30532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(NC3=[N+](C2=O)C=CS3)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(NC3=[N+](C2=O)C=CS3)C)Br

InChI

InChI=1S/C14H12BrN3O3S2/c1-8-7-10(3-4-11(8)15)17-23(20,21)12-9(2)16-14-18(13(12)19)5-6-22-14/h3-7,17H,1-2H3/p+1