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

Systemtic Name: N-(4-bromanyl-3-methyl-phenyl)-2,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-bromo-3-methyl-phenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-bromo-3-methylphenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-bromo-3-methylphenyl)-2,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-bromo-3-methyl-phenyl)-5-keto-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C15H15BrN3O3S2+ MolecularWeight: 429.3319

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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=C(S3)C)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1)NS(=O)(=O)C2=C(NC3=[N+](C2=O)C=C(S3)C)C)Br

InChI

InChI=1S/C15H14BrN3O3S2/c1-8-6-11(4-5-12(8)16)18-24(21,22)13-10(3)17-15-19(14(13)20)7-9(2)23-15/h4-7,18H,1-3H3/p+1