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

Systemtic Name: S-[[3-(ethanoylsulfanylmethyl)-5-[4-(4-nitrophenyl)phenyl]phenyl]methyl] ethanethioate Openeye Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-nitrophenyl)phenyl]phenyl]methyl] ethanethioate CAS Name: ethanethioic acid S-[[3-[(acetylthio)methyl]-5-[4-(4-nitrophenyl)phenyl]phenyl]methyl] ester IUPAC Name: S-[[3-(acetylsulfanylmethyl)-5-[4-(4-nitrophenyl)phenyl]phenyl]methyl] ethanethioate Traditional Name: ethanethioic acid S-[3-[(acetylthio)methyl]-5-[4-(4-nitrophenyl)phenyl]benzyl] ester Formula: C24H21NO4S2 MolecularWeight: 451.55784

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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)[N+](=O)[O-])CSC(=O)C

Isomeric SMILES

CC(=O)SCC1=CC(=CC(=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)[N+](=O)[O-])CSC(=O)C

InChI

InChI=1S/C24H21NO4S2/c1-16(26)30-14-18-11-19(15-31-17(2)27)13-23(12-18)22-5-3-20(4-6-22)21-7-9-24(10-8-21)25(28)29/h3-13H,14-15H2,1-2H3