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

Systemtic Name: 5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-3-phenyl-1H-imidazol-3-ium-2-thiol bromide Openeye Name: 5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-3-phenyl-1H-imidazol-3-ium-2-thiol bromide CAS Name: 5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-3-phenyl-1H-imidazol-3-ium-2-thiol bromide IUPAC Name: 5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-3-phenyl-1H-imidazol-3-ium-2-thiol bromide Traditional Name: 5-methyl-4-(7-methyl-4H-1,4-benzothiazin-3-yl)-3-phenyl-1H-imidazol-3-ium-2-thiol bromide Formula: C19H18BrN3S2 MolecularWeight: 432.40032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=CC=C4)S)C.[Br-]

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CS2)C3=C(NC(=[N+]3C4=CC=CC=C4)S)C.[Br-]

InChI

InChI=1S/C19H17N3S2.BrH/c1-12-8-9-15-17(10-12)24-11-16(21-15)18-13(2)20-19(23)22(18)14-6-4-3-5-7-14;/h3-11,21H,1-2H3,(H,20,23);1H