N-(2-azanylperoxysulfanylphenyl)-4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide

Systemtic Name: N-(2-azanylperoxysulfanylphenyl)-4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide Openeye Name: N-(2-aminoperoxysulfanylphenyl)-4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide CAS Name: 2-[[oxo-[4-[2-[3-(trifluoromethyl)phenyl]ethynyl]phenyl]methyl]amino]benzenesulfenic acid aminooxy ester IUPAC Name: N-(2-aminoperoxysulfanylphenyl)-4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide Traditional Name: N-[2-(aminoperoxythio)phenyl]-4-[2-[3-(trifluoromethyl)phenyl]ethynyl]benzamide Formula: C22H15F3N2O3S MolecularWeight: 444.42631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC(=CC=C3)C(F)(F)F)SOON

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)C2=CC=C(C=C2)C#CC3=CC(=CC=C3)C(F)(F)F)SOON

InChI

InChI=1S/C22H15F3N2O3S/c23-22(24,25)18-5-3-4-16(14-18)9-8-15-10-12-17(13-11-15)21(28)27-19-6-1-2-7-20(19)31-30-29-26/h1-7,10-14H,26H2,(H,27,28)