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

Systemtic Name: 7-methyl-N-(2-methyl-3-nitro-phenyl)-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: 7-methyl-N-(2-methyl-3-nitro-phenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: 7-methyl-N-(2-methyl-3-nitrophenyl)-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: 5-keto-7-methyl-N-(2-methyl-3-nitro-phenyl)-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H13N4O5S2+ MolecularWeight: 381.40682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12N4O5S2/c1-8-10(4-3-5-11(8)18(20)21)16-25(22,23)12-9(2)15-14-17(13(12)19)6-7-24-14/h3-7,16H,1-2H3/p+1