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

Systemtic Name: N-(2,6-dimethylphenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(2,6-dimethylphenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(2,6-dimethylphenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(2,6-dimethylphenyl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(2,6-dimethylphenyl)-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C15H16N3O3S2+ MolecularWeight: 350.43584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O3S2/c1-9-5-4-6-10(2)12(9)17-23(20,21)13-11(3)16-15-18(14(13)19)7-8-22-15/h4-8,17H,1-3H3/p+1