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

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-[4-(4-phenylphenyl)phenyl]phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-phenylphenyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[4-(4-phenylphenyl)phenyl]phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-phenylphenyl)phenyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(4-phenylphenyl)phenyl]benzyl] ester Formula: C30H26O2S2 MolecularWeight: 482.65624

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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)C4=CC=CC=C4)CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=CC=C4)CSC(=O)C

InChI

InChI=1S/C30H26O2S2/c1-21(31)33-19-23-16-24(20-34-22(2)32)18-30(17-23)29-14-12-28(13-15-29)27-10-8-26(9-11-27)25-6-4-3-5-7-25/h3-18H,19-20H2,1-2H3