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

Systemtic Name: 2-[1-[(4-methylphenyl)methyl]-4,6-diphenyl-pyridin-1-ium-2-yl]sulfanyl-1-phenyl-ethanone Openeye Name: 2-[4,6-diphenyl-1-(p-tolylmethyl)pyridin-1-ium-2-yl]sulfanyl-1-phenyl-ethanone CAS Name: 2-[[1-[(4-methylphenyl)methyl]-4,6-diphenyl-2-pyridin-1-iumyl]thio]-1-phenylethanone IUPAC Name: 2-[1-[(4-methylphenyl)methyl]-4,6-diphenylpyridin-1-ium-2-yl]sulfanyl-1-phenylethanone Traditional Name: 2-[[1-(4-methylbenzyl)-4,6-diphenyl-pyridin-1-ium-2-yl]thio]-1-phenyl-ethanone Formula: C33H28NOS+ MolecularWeight: 486.64652

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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=CC=C3)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=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C33H28NOS/c1-25-17-19-26(20-18-25)23-34-31(28-13-7-3-8-14-28)21-30(27-11-5-2-6-12-27)22-33(34)36-24-32(35)29-15-9-4-10-16-29/h2-22H,23-24H2,1H3/q+1