2-[3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylphenoxy]-N-ethyl-pentanamide

Systemtic Name: 2-[3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylphenoxy]-N-ethyl-pentanamide Openeye Name: 2-[3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylphenoxy]-N-ethyl-pentanamide CAS Name: 2-[3-[[2-cyano-4-(trifluoromethyl)phenyl]thio]phenoxy]-N-ethylpentanamide IUPAC Name: 2-[3-[2-cyano-4-(trifluoromethyl)phenyl]sulfanylphenoxy]-N-ethylpentanamide Traditional Name: 2-[3-[[2-cyano-4-(trifluoromethyl)phenyl]thio]phenoxy]-N-ethyl-valeramide Formula: C21H21F3N2O2S MolecularWeight: 422.46385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NCC)OC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N

Isomeric SMILES

CCCC(C(=O)NCC)OC1=CC(=CC=C1)SC2=C(C=C(C=C2)C(F)(F)F)C#N

InChI

InChI=1S/C21H21F3N2O2S/c1-3-6-18(20(27)26-4-2)28-16-7-5-8-17(12-16)29-19-10-9-15(21(22,23)24)11-14(19)13-25/h5,7-12,18H,3-4,6H2,1-2H3,(H,26,27)