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

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-(4-phenylphenyl)phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-(4-phenylphenyl)phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-(4-phenylphenyl)phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-(4-phenylphenyl)phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-(4-phenylphenyl)benzyl] ester Formula: C24H22O2S2 MolecularWeight: 406.56028

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=CC=C3)CSC(=O)C

InChI

InChI=1S/C24H22O2S2/c1-17(25)27-15-19-12-20(16-28-18(2)26)14-24(13-19)23-10-8-22(9-11-23)21-6-4-3-5-7-21/h3-14H,15-16H2,1-2H3