ethyl 2-[1-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-2-yl]sulfanylethanoate chloride

Systemtic Name: ethyl 2-[1-(4-methylphenyl)-4,6-diphenyl-pyridin-1-ium-2-yl]sulfanylethanoate chloride Openeye Name: ethyl 2-[4,6-diphenyl-1-(p-tolyl)pyridin-1-ium-2-yl]sulfanylacetate chloride CAS Name: 2-[[1-(4-methylphenyl)-4,6-diphenyl-2-pyridin-1-iumyl]thio]acetic acid ethyl ester chloride IUPAC Name: ethyl 2-[1-(4-methylphenyl)-4,6-diphenylpyridin-1-ium-2-yl]sulfanylacetate chloride Traditional Name: 2-[[4,6-diphenyl-1-(p-tolyl)pyridin-1-ium-2-yl]thio]acetic acid ethyl ester chloride Formula: C28H26ClNO2S MolecularWeight: 476.02954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC(=CC(=[N+]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCOC(=O)CSC1=CC(=CC(=[N+]1C2=CC=C(C=C2)C)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C28H26NO2S.ClH/c1-3-31-28(30)20-32-27-19-24(22-10-6-4-7-11-22)18-26(23-12-8-5-9-13-23)29(27)25-16-14-21(2)15-17-25;/h4-19H,3,20H2,1-2H3;1H/q+1;/p-1