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

Systemtic Name: 4-(4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Formula: C19H18BrN3OS2 MolecularWeight: 448.39972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1)S)C2=CC=C(C=C2)OC)C3=CSC4=CC=CC=C4N3.[Br-]

Isomeric SMILES

CC1=C([N+](=C(N1)S)C2=CC=C(C=C2)OC)C3=CSC4=CC=CC=C4N3.[Br-]

InChI

InChI=1S/C19H17N3OS2.BrH/c1-12-18(16-11-25-17-6-4-3-5-15(17)21-16)22(19(24)20-12)13-7-9-14(23-2)10-8-13;/h3-11,21H,1-2H3,(H,20,24);1H