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

Systemtic Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide Formula: C20H20BrN3OS2 MolecularWeight: 462.4263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(NC(=C2C3=CSC4=C(N3)C=CC(=C4)OC)C)S.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(NC(=C2C3=CSC4=C(N3)C=CC(=C4)OC)C)S.[Br-]

InChI

InChI=1S/C20H19N3OS2.BrH/c1-12-4-6-14(7-5-12)23-19(13(2)21-20(23)25)17-11-26-18-10-15(24-3)8-9-16(18)22-17;/h4-11,22H,1-3H3,(H,21,25);1H