N-(2-azanylperoxysulfanylphenyl)-4-[2-(4-fluorophenyl)ethynyl]benzamide

Systemtic Name: N-(2-azanylperoxysulfanylphenyl)-4-[2-(4-fluorophenyl)ethynyl]benzamide Openeye Name: N-(2-aminoperoxysulfanylphenyl)-4-[2-(4-fluorophenyl)ethynyl]benzamide CAS Name: 2-[[[4-[2-(4-fluorophenyl)ethynyl]phenyl]-oxomethyl]amino]benzenesulfenic acid aminooxy ester IUPAC Name: N-(2-aminoperoxysulfanylphenyl)-4-[2-(4-fluorophenyl)ethynyl]benzamide Traditional Name: N-[2-(aminoperoxythio)phenyl]-4-[2-(4-fluorophenyl)ethynyl]benzamide Formula: C21H15FN2O3S MolecularWeight: 394.418803

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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=C(C=C3)F)SOON

Isomeric SMILES

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

InChI

InChI=1S/C21H15FN2O3S/c22-18-13-9-16(10-14-18)6-5-15-7-11-17(12-8-15)21(25)24-19-3-1-2-4-20(19)28-27-26-23/h1-4,7-14H,23H2,(H,24,25)