N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-chloranyl-3-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]ethanamide Openeye Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide CAS Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)methylthio]acetamide IUPAC Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-nitrobenzyl)thio]acetamide Formula: C16H12ClF3N2O3S MolecularWeight: 404.79129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C16H12ClF3N2O3S/c17-14-6-3-11(7-13(14)16(18,19)20)21-15(23)9-26-8-10-1-4-12(5-2-10)22(24)25/h1-7H,8-9H2,(H,21,23)