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

Systemtic Name: S-[[3-(4-bromophenyl)-5-(ethanoylsulfanylmethyl)phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-(4-bromophenyl)phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-(4-bromophenyl)phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-(4-bromophenyl)phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-(4-bromophenyl)benzyl] ester Formula: C18H17BrO2S2 MolecularWeight: 409.36038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO2S2/c1-12(20)22-10-14-7-15(11-23-13(2)21)9-17(8-14)16-3-5-18(19)6-4-16/h3-9H,10-11H2,1-2H3