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

Systemtic Name: 1,2,4-triphenyl-6-(phenylmethylsulfanyl)pyridin-1-ium chloride Openeye Name: 2-benzylsulfanyl-1,4,6-triphenyl-pyridin-1-ium chloride CAS Name: 1,2,4-triphenyl-6-(phenylmethylthio)pyridin-1-ium chloride IUPAC Name: 2-benzylsulfanyl-1,4,6-triphenylpyridin-1-ium chloride Traditional Name: 2-(benzylthio)-1,4,6-triphenyl-pyridin-1-ium chloride Formula: C30H24ClNS MolecularWeight: 466.03626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC(=CC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC(=CC(=[N+]2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C30H24NS.ClH/c1-5-13-24(14-6-1)23-32-30-22-27(25-15-7-2-8-16-25)21-29(26-17-9-3-10-18-26)31(30)28-19-11-4-12-20-28;/h1-22H,23H2;1H/q+1;/p-1