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

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-[4-(4-methoxyphenyl)phenyl]phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-methoxyphenyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[4-(4-methoxyphenyl)phenyl]phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-methoxyphenyl)phenyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(4-methoxyphenyl)phenyl]benzyl] ester Formula: C25H24O3S2 MolecularWeight: 436.58626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24O3S2/c1-17(26)29-15-19-12-20(16-30-18(2)27)14-24(13-19)23-6-4-21(5-7-23)22-8-10-25(28-3)11-9-22/h4-14H,15-16H2,1-3H3