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

Systemtic Name: 2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-3-prop-2-enylsulfanyl-propanamide Openeye Name: 3-allylsulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-(prop-2-enylthio)propanamide IUPAC Name: 2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-3-prop-2-enylsulfanylpropanamide Traditional Name: 3-(allylthio)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C14H15F3N2O4S MolecularWeight: 364.34011

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15F3N2O4S/c1-3-6-24-8-13(2,21)12(20)18-9-4-5-11(19(22)23)10(7-9)14(15,16)17/h3-5,7,21H,1,6,8H2,2H3,(H,18,20)