S-phenyl 2-[oxidanyl-[4-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanyl-butanethioate

Systemtic Name: S-phenyl 2-[oxidanyl-[4-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanyl-butanethioate Openeye Name: S-phenyl 2-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanyl-butanethioate CAS Name: 2-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-3-(phenylthio)butanethioic acid S-phenyl ester IUPAC Name: S-phenyl 2-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-3-phenylsulfanylbutanethioate Traditional Name: 2-[hydroxy-[4-(trifluoromethyl)phenyl]methyl]-3-(phenylthio)butanethioic acid S-phenyl ester Formula: C24H21F3O2S2 MolecularWeight: 462.54755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(C1=CC=C(C=C1)C(F)(F)F)O)C(=O)SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(C(C1=CC=C(C=C1)C(F)(F)F)O)C(=O)SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C24H21F3O2S2/c1-16(30-19-8-4-2-5-9-19)21(23(29)31-20-10-6-3-7-11-20)22(28)17-12-14-18(15-13-17)24(25,26)27/h2-16,21-22,28H,1H3