4-[[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid bromide

Systemtic Name: 4-[[4-(4-nitrophenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid bromide Openeye Name: 4-[[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]methyl]benzoic acid bromide CAS Name: 4-[[2-anilino-4-(4-nitrophenyl)-3-thiazol-3-iumyl]methyl]benzoic acid bromide IUPAC Name: 4-[[2-anilino-4-(4-nitrophenyl)-1,3-thiazol-3-ium-3-yl]methyl]benzoic acid bromide Traditional Name: 4-[[2-anilino-4-(4-nitrophenyl)thiazol-3-ium-3-yl]methyl]benzoic acid bromide Formula: C23H18BrN3O4S MolecularWeight: 512.37572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(=O)O.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=C(C=C4)C(=O)O.[Br-]

InChI

InChI=1S/C23H17N3O4S.BrH/c27-22(28)18-8-6-16(7-9-18)14-25-21(17-10-12-20(13-11-17)26(29)30)15-31-23(25)24-19-4-2-1-3-5-19;/h1-13,15H,14H2,(H,27,28);1H