4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide

Systemtic Name: 4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide Formula: C19H18BrN3S2 MolecularWeight: 432.40032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(NC(=C2C3=CSC4=CC=CC=C4N3)C)S.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(NC(=C2C3=CSC4=CC=CC=C4N3)C)S.[Br-]

InChI

InChI=1S/C19H17N3S2.BrH/c1-12-7-9-14(10-8-12)22-18(13(2)20-19(22)23)16-11-24-17-6-4-3-5-15(17)21-16;/h3-11,21H,1-2H3,(H,20,23);1H