2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide

Systemtic Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-(1,3-benzothiazol-3-ium-3-yl)-1-(4-phenylphenyl)ethanone bromide Formula: C21H16BrNOS MolecularWeight: 410.32684

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CSC4=CC=CC=C43.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CSC4=CC=CC=C43.[Br-]

InChI

InChI=1S/C21H16NOS.BrH/c23-20(14-22-15-24-21-9-5-4-8-19(21)22)18-12-10-17(11-13-18)16-6-2-1-3-7-16;/h1-13,15H,14H2;1H/q+1;/p-1