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

Systemtic Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Formula: C20H20BrN3O2S2 MolecularWeight: 478.4257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C([N+](=C(N1)S)C2=CC=C(C=C2)OC)C3=CSC4=C(N3)C=CC(=C4)OC.[Br-]

Isomeric SMILES

CC1=C([N+](=C(N1)S)C2=CC=C(C=C2)OC)C3=CSC4=C(N3)C=CC(=C4)OC.[Br-]

InChI

InChI=1S/C20H19N3O2S2.BrH/c1-12-19(17-11-27-18-10-15(25-3)8-9-16(18)22-17)23(20(26)21-12)13-4-6-14(24-2)7-5-13;/h4-11,22H,1-3H3,(H,21,26);1H