N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(phenylmethylsulfanyl)propanamide Openeye Name: 2-benzylsulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide CAS Name: N-[4-nitro-2-(trifluoromethyl)phenyl]-2-(phenylmethylthio)propanamide IUPAC Name: 2-benzylsulfanyl-N-[4-nitro-2-(trifluoromethyl)phenyl]propanamide Traditional Name: 2-(benzylthio)-N-[4-nitro-2-(trifluoromethyl)phenyl]propionamide Formula: C17H15F3N2O3S MolecularWeight: 384.37281

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F)SCC2=CC=CC=C2

InChI

InChI=1S/C17H15F3N2O3S/c1-11(26-10-12-5-3-2-4-6-12)16(23)21-15-8-7-13(22(24)25)9-14(15)17(18,19)20/h2-9,11H,10H2,1H3,(H,21,23)