6-(4-methylphenyl)-7H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide

Systemtic Name: 6-(4-methylphenyl)-7H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide Openeye Name: 6-(p-tolyl)-7H-thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide CAS Name: 6-(4-methylphenyl)-7H-thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide IUPAC Name: 6-(4-methylphenyl)-7H-[1,3]thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide Traditional Name: 6-(p-tolyl)-7H-thiazolo[2,3-b][1,3,4]thiadiazin-4-ium-3-one bromide Formula: C12H11BrN2OS2 MolecularWeight: 343.26254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=N[N+]3=C(SC2)SCC3=O.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=N[N+]3=C(SC2)SCC3=O.[Br-]

InChI

InChI=1S/C12H11N2OS2.BrH/c1-8-2-4-9(5-3-8)10-6-16-12-14(13-10)11(15)7-17-12;/h2-5H,6-7H2,1H3;1H/q+1;/p-1