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

Systemtic Name: 3-(4-bromophenyl)sulfanyl-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[(4-bromophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(4-bromophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[(4-bromophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C17H14BrF3N2O4S MolecularWeight: 479.26827

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=C(C=C1)Br)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

Isomeric SMILES

CC(CSC1=CC=C(C=C1)Br)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O

InChI

InChI=1S/C17H14BrF3N2O4S/c1-16(25,9-28-12-5-2-10(18)3-6-12)15(24)22-11-4-7-14(23(26)27)13(8-11)17(19,20)21/h2-8,25H,9H2,1H3,(H,22,24)