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

Systemtic Name: 3-(4-chlorophenyl)-4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 3-(4-chlorophenyl)-4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 3-(4-chlorophenyl)-4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 3-(4-chlorophenyl)-4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 3-(4-chlorophenyl)-4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Formula: C20H19BrClN3OS2 MolecularWeight: 496.87136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C.[Br-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=C(C=C4)Cl)S)C.[Br-]

InChI

InChI=1S/C20H18ClN3OS2.BrH/c1-3-25-15-8-9-16-18(10-15)27-11-17(23-16)19-12(2)22-20(26)24(19)14-6-4-13(21)5-7-14;/h4-11,23H,3H2,1-2H3,(H,22,26);1H