1-(4-methylphenyl)-2,4-diphenyl-6-(phenylmethylsulfanyl)pyridin-1-ium chloride

Systemtic Name: 1-(4-methylphenyl)-2,4-diphenyl-6-(phenylmethylsulfanyl)pyridin-1-ium chloride Openeye Name: 2-benzylsulfanyl-4,6-diphenyl-1-(p-tolyl)pyridin-1-ium chloride CAS Name: 1-(4-methylphenyl)-2,4-diphenyl-6-(phenylmethylthio)pyridin-1-ium chloride IUPAC Name: 2-benzylsulfanyl-1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium chloride Traditional Name: 2-(benzylthio)-4,6-diphenyl-1-(p-tolyl)pyridin-1-ium chloride Formula: C31H26ClNS MolecularWeight: 480.06284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)[N+]2=C(C=C(C=C2SCC3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C31H26NS.ClH/c1-24-17-19-29(20-18-24)32-30(27-15-9-4-10-16-27)21-28(26-13-7-3-8-14-26)22-31(32)33-23-25-11-5-2-6-12-25;/h2-22H,23H2,1H3;1H/q+1;/p-1