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

Systemtic Name: 3-(4-chlorophenyl)-4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 3-(4-chlorophenyl)-4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 3-(4-chlorophenyl)-4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 3-(4-chlorophenyl)-4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 3-(4-chlorophenyl)-4-(7-methoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Formula: C19H17BrClN3OS2 MolecularWeight: 482.84478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN3OS2.BrH/c1-11-18(23(19(25)21-11)13-5-3-12(20)4-6-13)16-10-26-17-9-14(24-2)7-8-15(17)22-16;/h3-10,22H,1-2H3,(H,21,25);1H