S-[cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate

Systemtic Name: S-[cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate Openeye Name: S-[cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate CAS Name: 2-[4-(trifluoromethyl)phenyl]pentanethioic acid S-[cyano-(3-phenoxyphenyl)methyl] ester IUPAC Name: S-[cyano-(3-phenoxyphenyl)methyl] 2-[4-(trifluoromethyl)phenyl]pentanethioate Traditional Name: 2-[4-(trifluoromethyl)phenyl]pentanethioic acid S-[cyano-(3-phenoxyphenyl)methyl] ester Formula: C26H22F3NO2S MolecularWeight: 469.51859

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)C(F)(F)F)C(=O)SC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCC(C1=CC=C(C=C1)C(F)(F)F)C(=O)SC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C26H22F3NO2S/c1-2-7-23(18-12-14-20(15-13-18)26(27,28)29)25(31)33-24(17-30)19-8-6-11-22(16-19)32-21-9-4-3-5-10-21/h3-6,8-16,23-24H,2,7H2,1H3