3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide

Systemtic Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide CAS Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 3-(4-chlorophenyl)-5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-1H-imidazol-3-ium-2-thiol bromide Formula: C19H17BrClN3S2 MolecularWeight: 466.84538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C.[Br-]

InChI

InChI=1S/C19H16ClN3S2.BrH/c1-11-3-8-15-17(9-11)25-10-16(22-15)18-12(2)21-19(24)23(18)14-6-4-13(20)5-7-14;/h3-10,22H,1-2H3,(H,21,24);1H