3-[[2,4,5-tris(fluoranyl)phenyl]carbamothioylsulfanyl]propanoic acid

Systemtic Name: 3-[[2,4,5-tris(fluoranyl)phenyl]carbamothioylsulfanyl]propanoic acid Openeye Name: 3-[(2,4,5-trifluorophenyl)carbamothioylsulfanyl]propanoic acid CAS Name: 3-[[sulfanylidene-(2,4,5-trifluoroanilino)methyl]thio]propanoic acid IUPAC Name: 3-[(2,4,5-trifluorophenyl)carbamothioylsulfanyl]propanoic acid Traditional Name: 3-[(2,4,5-trifluorophenyl)thiocarbamoylthio]propionic acid Formula: C10H8F3NO2S2 MolecularWeight: 295.30123

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1F)F)F)NC(=S)SCCC(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1F)F)F)NC(=S)SCCC(=O)O

InChI

InChI=1S/C10H8F3NO2S2/c11-5-3-7(13)8(4-6(5)12)14-10(17)18-2-1-9(15)16/h3-4H,1-2H2,(H,14,17)(H,15,16)