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

Systemtic Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(4-methylphenyl)-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-5-methyl-3-(p-tolyl)-1H-imidazol-3-ium-2-thiol bromide Formula: C21H22BrN3OS2 MolecularWeight: 476.45288

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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)C)S)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS2.BrH/c1-4-25-16-9-10-17-19(11-16)27-12-18(23-17)20-14(3)22-21(26)24(20)15-7-5-13(2)6-8-15;/h5-12,23H,4H2,1-3H3,(H,22,26);1H