2,2,2-tris(fluoranyl)-N-[1-(4-methyl-2-sulfanyl-phenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-[1-(4-methyl-2-sulfanyl-phenyl)-1,3-bis(oxidanyl)propan-2-yl]ethanamide Openeye Name: 2,2,2-trifluoro-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-methyl-2-sulfanyl-phenyl)ethyl]acetamide CAS Name: N-[1,3-dihydroxy-1-(2-mercapto-4-methylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide IUPAC Name: N-[1,3-dihydroxy-1-(4-methyl-2-sulfanylphenyl)propan-2-yl]-2,2,2-trifluoroacetamide Traditional Name: 2,2,2-trifluoro-N-[2-hydroxy-2-(2-mercapto-4-methyl-phenyl)-1-methylol-ethyl]acetamide Formula: C12H14F3NO3S MolecularWeight: 309.30467

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C(CO)NC(=O)C(F)(F)F)O)S

Isomeric SMILES

CC1=CC(=C(C=C1)C(C(CO)NC(=O)C(F)(F)F)O)S

InChI

InChI=1S/C12H14F3NO3S/c1-6-2-3-7(9(20)4-6)10(18)8(5-17)16-11(19)12(13,14)15/h2-4,8,10,17-18,20H,5H2,1H3,(H,16,19)