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

Systemtic Name: 3-(4-cyanophenyl)sulfanyl-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]-2-oxidanyl-propanamide Openeye Name: 3-(4-cyanophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide CAS Name: 3-[(4-cyanophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide IUPAC Name: 3-(4-cyanophenyl)sulfanyl-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide Traditional Name: 3-[(4-cyanophenyl)thio]-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propionamide Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F3N3O4S/c1-17(26,10-29-13-5-2-11(9-22)3-6-13)16(25)23-12-4-7-15(24(27)28)14(8-12)18(19,20)21/h2-8,26H,10H2,1H3,(H,23,25)