S-[[3-(ethanoylsulfanylmethyl)-5-[4-(4-methylphenyl)phenyl]phenyl]methyl] ethanethioate

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-[4-(4-methylphenyl)phenyl]phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(p-tolyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[4-(4-methylphenyl)phenyl]phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-methylphenyl)phenyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(p-tolyl)phenyl]benzyl] ester Formula: C25H24O2S2 MolecularWeight: 420.58686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)CSC(=O)C)CSC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC(=CC(=C3)CSC(=O)C)CSC(=O)C

InChI

InChI=1S/C25H24O2S2/c1-17-4-6-22(7-5-17)23-8-10-24(11-9-23)25-13-20(15-28-18(2)26)12-21(14-25)16-29-19(3)27/h4-14H,15-16H2,1-3H3