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

Systemtic Name: N-(4-bromophenyl)-3,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-bromophenyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-bromophenyl)-3,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-bromophenyl)-3,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-bromophenyl)-5-keto-3,7-dimethyl-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=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NC3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C(=C(N2)C)S(=O)(=O)NC3=CC=C(C=C3)Br

InChI

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