2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-propyl-propanamide

Systemtic Name: 2-[5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-propyl-propanamide Openeye Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanyl-phenoxy]-N-propyl-propanamide CAS Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]-N-propylpropanamide IUPAC Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylphenoxy]-N-propylpropanamide Traditional Name: 2-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-(methylthio)phenoxy]-N-propyl-propionamide Formula: C20H21ClF3NO3S MolecularWeight: 447.89885

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC

Isomeric SMILES

CCCNC(=O)C(C)OC1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)SC

InChI

InChI=1S/C20H21ClF3NO3S/c1-4-9-25-19(26)12(2)27-17-11-14(6-8-18(17)29-3)28-16-7-5-13(10-15(16)21)20(22,23)24/h5-8,10-12H,4,9H2,1-3H3,(H,25,26)