N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H16F3N3O4S MolecularWeight: 427.39755

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)NC(=O)C)C(F)(F)F)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)NC(=O)C)C(F)(F)F)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16F3N3O4S/c1-10(29-14-6-4-13(5-7-14)24(27)28)17(26)23-16-8-3-12(22-11(2)25)9-15(16)18(19,20)21/h3-10H,1-2H3,(H,22,25)(H,23,26)