3-[[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-3-ium-2-yl]amino]isoindol-1-one bromide

Systemtic Name: 3-[[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-3-ium-2-yl]amino]isoindol-1-one bromide Openeye Name: 3-[[4-(4-bromophenyl)-3-phenyl-thiazol-3-ium-2-yl]amino]isoindol-1-one bromide CAS Name: 3-[[4-(4-bromophenyl)-3-phenyl-2-thiazol-3-iumyl]amino]-1-isoindolone bromide IUPAC Name: 3-[[4-(4-bromophenyl)-3-phenyl-1,3-thiazol-3-ium-2-yl]amino]isoindol-1-one bromide Traditional Name: 3-[[4-(4-bromophenyl)-3-phenyl-thiazol-3-ium-2-yl]amino]isoindol-1-one bromide Formula: C23H15Br2N3OS MolecularWeight: 541.2577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=C(SC=C2C3=CC=C(C=C3)Br)NC4=NC(=O)C5=CC=CC=C54.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=C(SC=C2C3=CC=C(C=C3)Br)NC4=NC(=O)C5=CC=CC=C54.[Br-]

InChI

InChI=1S/C23H14BrN3OS.BrH/c24-16-12-10-15(11-13-16)20-14-29-23(27(20)17-6-2-1-3-7-17)26-21-18-8-4-5-9-19(18)22(28)25-21;/h1-14H;1H