N-[3-fluoranyl-1-(4-methylsulfonylphenyl)-1-oxidanyl-propan-2-yl]propanethioamide

Systemtic Name: N-[3-fluoranyl-1-(4-methylsulfonylphenyl)-1-oxidanyl-propan-2-yl]propanethioamide Openeye Name: N-[1-(fluoromethyl)-2-hydroxy-2-(4-methylsulfonylphenyl)ethyl]propanethioamide CAS Name: N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanethioamide IUPAC Name: N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanethioamide Traditional Name: N-[1-(fluoromethyl)-2-hydroxy-2-(4-mesylphenyl)ethyl]thiopropionamide Formula: C13H18FNO3S2 MolecularWeight: 319.415323

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=S)NC(CF)C(C1=CC=C(C=C1)S(=O)(=O)C)O

Isomeric SMILES

CCC(=S)NC(CF)C(C1=CC=C(C=C1)S(=O)(=O)C)O

InChI

InChI=1S/C13H18FNO3S2/c1-3-12(19)15-11(8-14)13(16)9-4-6-10(7-5-9)20(2,17)18/h4-7,11,13,16H,3,8H2,1-2H3,(H,15,19)