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

Systemtic Name: S-[[3-[4-(4-cyanophenyl)phenyl]-5-(ethanoylsulfanylmethyl)phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-cyanophenyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[4-(4-cyanophenyl)phenyl]phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-cyanophenyl)phenyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(4-cyanophenyl)phenyl]benzyl] ester Formula: C25H21NO2S2 MolecularWeight: 431.56974

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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)C#N)CSC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H21NO2S2/c1-17(27)29-15-20-11-21(16-30-18(2)28)13-25(12-20)24-9-7-23(8-10-24)22-5-3-19(14-26)4-6-22/h3-13H,15-16H2,1-2H3