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3H-pyrazol-3-one, 2-(4-fluorophenyl)-2,4-dihydro-5-propyl-4-[[(2-thienylmethyl)amino]methylene]-, (4E)-
SpectraBase Compound ID I4o15yiOfaM
InChI InChI=1S/C18H18FN3OS/c1-2-4-17-16(12-20-11-15-5-3-10-24-15)18(23)22(21-17)14-8-6-13(19)7-9-14/h3,5-10,12,20H,2,4,11H2,1H3/b16-12+
InChIKey AFVAYYZZCVNVKR-FOWTUZBSSA-N
Mol Weight 343.42 g/mol
Molecular Formula C18H18FN3OS
Exact Mass 343.115462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IcqjZzoQyn5
Name (4E)-2-(4-fluorophenyl)-5-propyl-4-[(2-thenylamino)methylene]-2-pyrazolin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18FN3OS
InChI InChI=1S/C18H18FN3OS/c1-2-4-17-16(12-20-11-15-5-3-10-24-15)18(23)22(21-17)14-8-6-13(19)7-9-14/h3,5-10,12,20H,2,4,11H2,1H3/b16-12+
InChIKey AFVAYYZZCVNVKR-FOWTUZBSSA-N
Molecular Weight 343.420 g/mol
SMILES N(\C=C\1C(N(N=C1CCC)c1ccc(cc1)F)=O)Cc1sccc1
SPLASH splash10-0002-9123000000-4de3b344221a54ed809d
Synonyms (4E)-2-(4-fluorophenyl)-5-propyl-4-[(2-thienylmethylamino)methylene]pyrazol-3-one (4E)-2-(4-fluorophenyl)-5-propyl-4-[(thiophen-2-ylmethylamino)methylidene]-3-pyrazolone (4E)-2-(4-fluorophenyl)-5-propyl-4-[(thiophen-2-ylmethylamino)methylidene]pyrazol-3-one
Wiley ID 1453410