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

Systemtic Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 4-(7-ethoxy-4H-1,4-benzothiazin-3-yl)-3-(4-methoxyphenyl)-5-methyl-1H-imidazol-3-ium-2-thiol bromide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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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)OC)S)C.[Br-]

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O2S2.BrH/c1-4-26-16-9-10-17-19(11-16)28-12-18(23-17)20-13(2)22-21(27)24(20)14-5-7-15(25-3)8-6-14;/h5-12,23H,4H2,1-3H3,(H,22,27);1H