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

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-7-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(2-ethyl-6-methylphenyl)-7-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-7-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-5-keto-7-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C16H18N3O3S2+ MolecularWeight: 364.46242

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NS(=O)(=O)C2=C(NC3=[N+](C2=O)C=CS3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NS(=O)(=O)C2=C(NC3=[N+](C2=O)C=CS3)C)C

InChI

InChI=1S/C16H17N3O3S2/c1-4-12-7-5-6-10(2)13(12)18-24(21,22)14-11(3)17-16-19(15(14)20)8-9-23-16/h5-9,18H,4H2,1-3H3/p+1