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1-piperazinecarbothioamide, N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-1,5-dihydro-5-oxo-3-propyl-4H-pyrazol-4-ylidene]methyl]amino]ethyl]-
SpectraBase Compound ID JHnT1V9pBjT
InChI InChI=1S/C22H31FN6OS/c1-3-5-20-19(21(30)29(26-20)18-8-6-17(23)7-9-18)16-24-10-11-27-12-14-28(15-13-27)22(31)25-4-2/h6-9,16,24H,3-5,10-15H2,1-2H3,(H,25,31)/b19-16+
InChIKey HWYSJKWJBBJKSX-KNTRCKAVSA-N
Mol Weight 446.59 g/mol
Molecular Formula C22H31FN6OS
Exact Mass 446.226409 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9FzKwDuh3F
Name N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-5-keto-3-propyl-2-pyrazolin-4-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H31FN6OS
InChI InChI=1S/C22H31FN6OS/c1-3-5-20-19(21(30)29(26-20)18-8-6-17(23)7-9-18)16-24-10-11-27-12-14-28(15-13-27)22(31)25-4-2/h6-9,16,24H,3-5,10-15H2,1-2H3,(H,25,31)/b19-16+
InChIKey HWYSJKWJBBJKSX-KNTRCKAVSA-N
Molecular Weight 446.589 g/mol
SMILES N(\C=C\1C(N(N=C1CCC)c1ccc(cc1)F)=O)CCN1CCN(C(=S)NCC)CC1
SPLASH splash10-0002-9311000000-d3fccafb241ea5d5de2b
Synonyms N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-5-oxidanylidene-3-propyl-pyrazol-4-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-5-oxo-3-propyl-4-pyrazolylidene]methyl]amino]ethyl]-1-piperazinecarbothioamide N-ethyl-4-[2-[[(E)-[1-(4-fluorophenyl)-5-oxo-3-propyl-pyrazol-4-ylidene]methyl]amino]ethyl]piperazine-1-carbothioamide
Wiley ID 1462566