N,3-bis(3-bromophenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide

Systemtic Name: N,3-bis(3-bromophenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Openeye Name: N,3-bis(3-bromophenyl)-4-(4-nitrophenyl)thiazol-3-ium-2-amine bromide CAS Name: N,3-bis(3-bromophenyl)-4-(4-nitrophenyl)-2-thiazol-3-iumamine bromide IUPAC Name: N,3-bis(3-bromophenyl)-4-(4-nitrophenyl)-1,3-thiazol-3-ium-2-amine bromide Traditional Name: (3-bromophenyl)-[3-(3-bromophenyl)-4-(4-nitrophenyl)thiazol-3-ium-2-yl]amine bromide Formula: C21H14Br3N3O2S MolecularWeight: 612.13176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13Br2N3O2S.BrH/c22-15-3-1-5-17(11-15)24-21-25(19-6-2-4-16(23)12-19)20(13-29-21)14-7-9-18(10-8-14)26(27)28;/h1-13H;1H