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(4Z)-4-[[2-(4-chlorophenyl)sulfanylethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
SpectraBase Compound ID G5e8L7CuSia
InChI InChI=1S/C21H21ClFN3OS/c1-2-3-20-19(14-24-12-13-28-18-10-4-15(22)5-11-18)21(27)26(25-20)17-8-6-16(23)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3/b19-14-
InChIKey XTGHAHWUJHCDBC-RGEXLXHISA-N
Mol Weight 417.93 g/mol
Molecular Formula C21H21ClFN3OS
Exact Mass 417.107789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 43Su3uf6Q0P
Name (4Z)-4-[[2-(4-chlorophenyl)sulfanylethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClFN3OS
InChI InChI=1S/C21H21ClFN3OS/c1-2-3-20-19(14-24-12-13-28-18-10-4-15(22)5-11-18)21(27)26(25-20)17-8-6-16(23)7-9-17/h4-11,14,24H,2-3,12-13H2,1H3/b19-14-
InChIKey XTGHAHWUJHCDBC-RGEXLXHISA-N
Molecular Weight 417.930 g/mol
SMILES N(\C=C/1C(N(N=C1CCC)c1ccc(cc1)F)=O)CCSc1ccc(cc1)Cl
SPLASH splash10-00kb-9750100000-0ca4d27624d36eeadc2a
Synonyms (4Z)-4-[[2-(4-chlorophenyl)sulfanylethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-pyrazol-3-one (4Z)-4-[[2-[(4-chlorophenyl)thio]ethylamino]methylene]-2-(4-fluorophenyl)-5-propyl-2-pyrazolin-3-one (4Z)-4-[[2-[(4-chlorophenyl)thio]ethylamino]methylidene]-2-(4-fluorophenyl)-5-propyl-3-pyrazolone
Wiley ID 1463487