N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-3-methylsulfanyl-2-oxidanyl-propanamide

Systemtic Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-methyl-3-methylsulfanyl-2-oxidanyl-propanamide Openeye Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-methylsulfanyl-propanamide CAS Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(methylthio)propanamide IUPAC Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-methylsulfanylpropanamide Traditional Name: N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(methylthio)propionamide Formula: C13H13F3N2O2S MolecularWeight: 318.31473

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O

Isomeric SMILES

CC(CSC)(C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F)O

InChI

InChI=1S/C13H13F3N2O2S/c1-12(20,7-21-2)11(19)18-9-4-3-8(6-17)10(5-9)13(14,15)16/h3-5,20H,7H2,1-2H3,(H,18,19)