N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-methylsulfanyl-propanamide

Systemtic Name: N-[3-cyano-4-[2,2,2-tris(fluoranyl)ethoxy]phenyl]-3-methylsulfanyl-propanamide Openeye Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-methylsulfanyl-propanamide CAS Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-(methylthio)propanamide IUPAC Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-methylsulfanylpropanamide Traditional Name: N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-3-(methylthio)propionamide Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)NC1=CC(=C(C=C1)OCC(F)(F)F)C#N

Isomeric SMILES

CSCCC(=O)NC1=CC(=C(C=C1)OCC(F)(F)F)C#N

InChI

InChI=1S/C13H13F3N2O2S/c1-21-5-4-12(19)18-10-2-3-11(9(6-10)7-17)20-8-13(14,15)16/h2-3,6H,4-5,8H2,1H3,(H,18,19)