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(4Z)-2-(4-fluorophenyl)-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-5-propyl-pyrazol-3-one
SpectraBase Compound ID x7M5tlxOxL
InChI InChI=1S/C22H24FN3OS/c1-3-4-21-20(15-24-13-14-28-19-11-5-16(2)6-12-19)22(27)26(25-21)18-9-7-17(23)8-10-18/h5-12,15,24H,3-4,13-14H2,1-2H3/b20-15-
InChIKey SXZRRLUFSOYPBJ-HKWRFOASSA-N
Mol Weight 397.51 g/mol
Molecular Formula C22H24FN3OS
Exact Mass 397.162412 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FNgBiJ9wftK
Name (4Z)-2-(4-fluorophenyl)-4-[[2-(4-methylphenyl)sulfanylethylamino]methylidene]-5-propyl-pyrazol-3-one
Alternate Name(s) (4Z)-2-(4-fluorophenyl)-4-[[2-[(4-methylphenyl)thio]ethylamino]methylidene]-5-propyl-3-pyrazolone (4Z)-2-(4-fluorophenyl)-5-propyl-4-[[2-(p-tolylsulfanyl)ethylamino]methylene]pyrazol-3-one (4Z)-2-(4-fluorophenyl)-5-propyl-4-[[2-(p-tolylthio)ethylamino]methylene]-2-pyrazolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24FN3OS
InChI InChI=1S/C22H24FN3OS/c1-3-4-21-20(15-24-13-14-28-19-11-5-16(2)6-12-19)22(27)26(25-21)18-9-7-17(23)8-10-18/h5-12,15,24H,3-4,13-14H2,1-2H3/b20-15-
InChIKey SXZRRLUFSOYPBJ-HKWRFOASSA-N
Molecular Weight 397.512 g/mol
SMILES N(\C=C/1C(N(N=C1CCC)c1ccc(cc1)F)=O)CCSc1ccc(cc1)C
SPLASH splash10-006t-9851000000-a76f8c9c6635f262c6ef
Wiley ID 1453463