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

Systemtic Name: 1-(4-bromophenyl)-2-[1-[(4-methylphenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-yl]sulfanyl-ethanone Openeye Name: 1-(4-bromophenyl)-2-[4,6-diphenyl-1-(p-tolylmethyl)pyridin-1-ium-2-yl]sulfanyl-ethanone CAS Name: 1-(4-bromophenyl)-2-[[1-[(4-methylphenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumyl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[1-[(4-methylphenyl)methyl]-4,6-diphenylpyridin-1-ium-2-yl]sulfanylethanone Traditional Name: 1-(4-bromophenyl)-2-[[1-(4-methylbenzyl)-4,6-diphenyl-pyridin-1-ium-2-yl]thio]ethanone Formula: C33H27BrNOS+ MolecularWeight: 565.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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

CC1=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/C33H27BrNOS/c1-24-12-14-25(15-13-24)22-35-31(27-10-6-3-7-11-27)20-29(26-8-4-2-5-9-26)21-33(35)37-23-32(36)28-16-18-30(34)19-17-28/h2-21H,22-23H2,1H3/q+1