1-(4-bromophenyl)-2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[4,6-diphenyl-1-(phenylmethyl)pyridin-1-ium-2-yl]sulfanyl-ethanone Openeye Name: 2-(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)sulfanyl-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[4,6-diphenyl-1-(phenylmethyl)-2-pyridin-1-iumyl]thio]ethanone IUPAC Name: 2-(1-benzyl-4,6-diphenylpyridin-1-ium-2-yl)sulfanyl-1-(4-bromophenyl)ethanone Traditional Name: 2-[(1-benzyl-4,6-diphenyl-pyridin-1-ium-2-yl)thio]-1-(4-bromophenyl)ethanone Formula: C32H25BrNOS+ MolecularWeight: 551.516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(C=C(C=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C32H25BrNOS/c33-29-18-16-27(17-19-29)31(35)23-36-32-21-28(25-12-6-2-7-13-25)20-30(26-14-8-3-9-15-26)34(32)22-24-10-4-1-5-11-24/h1-21H,22-23H2/q+1