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

Systemtic Name: 2-methyl-3-methylsulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 2-hydroxy-2-methyl-3-methylsulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-hydroxy-2-methyl-3-(methylthio)-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 2-hydroxy-2-methyl-3-methylsulfanyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-hydroxy-2-methyl-3-(methylthio)-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C12H13F3N2O4S MolecularWeight: 338.30283

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(CSC)(C(=O)NC1=CC(=C(C=C1)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C12H13F3N2O4S/c1-11(19,6-22-2)10(18)16-7-3-4-9(17(20)21)8(5-7)12(13,14)15/h3-5,19H,6H2,1-2H3,(H,16,18)