[2-azanyl-3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-5-yl]-phenyl-methanone chloride

Systemtic Name: [2-azanyl-3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-5-yl]-phenyl-methanone chloride Openeye Name: [2-amino-3-(4-bromophenyl)-4-phenyl-4,5-dihydrothiazol-3-ium-5-yl]-phenyl-methanone chloride CAS Name: [2-amino-3-(4-bromophenyl)-4-phenyl-4,5-dihydrothiazol-3-ium-5-yl]-phenylmethanone chloride IUPAC Name: [2-amino-3-(4-bromophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-3-ium-5-yl]-phenylmethanone chloride Traditional Name: [2-amino-3-(4-bromophenyl)-4-phenyl-2-thiazolin-3-ium-5-yl]-phenyl-methanone chloride Formula: C22H18BrClN2OS MolecularWeight: 473.81312

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(SC(=[N+]2C3=CC=C(C=C3)Br)N)C(=O)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)C2C(SC(=[N+]2C3=CC=C(C=C3)Br)N)C(=O)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C22H17BrN2OS.ClH/c23-17-11-13-18(14-12-17)25-19(15-7-3-1-4-8-15)21(27-22(25)24)20(26)16-9-5-2-6-10-16;/h1-14,19,21,24H;1H