2-tert-butylsulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]acetamide CAS Name: 2-(tert-butylthio)-N-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]acetamide IUPAC Name: 2-tert-butylsulfanyl-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide Traditional Name: 2-(tert-butylthio)-N-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]acetamide Formula: C22H24FN3OS MolecularWeight: 397.508863

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)SCC(=O)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C22H24FN3OS/c1-22(2,3)28-15-20(27)24-13-17-14-26(19-7-5-4-6-8-19)25-21(17)16-9-11-18(23)12-10-16/h4-12,14H,13,15H2,1-3H3,(H,24,27)