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

Systemtic Name: N-(4-bromophenyl)-2,7-dimethyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Openeye Name: N-(4-bromophenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide CAS Name: N-(4-bromophenyl)-2,7-dimethyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide IUPAC Name: N-(4-bromophenyl)-2,7-dimethyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Traditional Name: N-(4-bromophenyl)-5-keto-2,7-dimethyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-6-sulfonamide Formula: C14H13BrN3O3S2+ MolecularWeight: 415.30532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=C[N+]2=C(S1)NC(=C(C2=O)S(=O)(=O)NC3=CC=C(C=C3)Br)C

InChI

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