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

Systemtic Name: N-[[4-fluoranyl-2-(trifluoromethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: N-[4-fluoro-2-(trifluoromethyl)benzyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C17H14F4N2O3S MolecularWeight: 402.363273

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=C(C=C(C=C1)F)C(F)(F)F)SC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=C(C=C(C=C1)F)C(F)(F)F)SC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14F4N2O3S/c1-10(27-14-6-4-13(5-7-14)23(25)26)16(24)22-9-11-2-3-12(18)8-15(11)17(19,20)21/h2-8,10H,9H2,1H3,(H,22,24)