N-ethanoyl-N-[2-[(3-fluorophenyl)methyl]-5-methylsulfanyl-4-(phenylsulfonyl)pyrazol-3-yl]ethanamide

Systemtic Name: N-ethanoyl-N-[2-[(3-fluorophenyl)methyl]-5-methylsulfanyl-4-(phenylsulfonyl)pyrazol-3-yl]ethanamide Openeye Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-5-methylsulfanyl-pyrazol-3-yl]acetamide CAS Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-5-(methylthio)-3-pyrazolyl]acetamide IUPAC Name: N-acetyl-N-[4-(benzenesulfonyl)-2-[(3-fluorophenyl)methyl]-5-methylsulfanylpyrazol-3-yl]acetamide Traditional Name: N-acetyl-N-[4-besyl-2-(3-fluorobenzyl)-5-(methylthio)pyrazol-3-yl]acetamide Formula: C21H20FN3O4S2 MolecularWeight: 461.529603

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=C(C(=NN1CC2=CC(=CC=C2)F)SC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(=O)N(C1=C(C(=NN1CC2=CC(=CC=C2)F)SC)S(=O)(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C21H20FN3O4S2/c1-14(26)25(15(2)27)21-19(31(28,29)18-10-5-4-6-11-18)20(30-3)23-24(21)13-16-8-7-9-17(22)12-16/h4-12H,13H2,1-3H3