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3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[2-methyl-4-[3-(methylsulfonyl)-1-imidazolidinyl]phenyl]imino]-2-phenyl-
SpectraBase Compound ID KpUHcHBK0AY
InChI InChI=1S/C21H23N5O3S/c1-15-13-18(24-11-12-25(14-24)30(3,28)29)9-10-19(15)22-20-16(2)23-26(21(20)27)17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3/b22-20-
InChIKey VFFLVDXZHOHINM-XDOYNYLZSA-N
Mol Weight 425.51 g/mol
Molecular Formula C21H23N5O3S
Exact Mass 425.152161 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GgRWeDoI2s7
Name 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[2-methyl-4-[3-(methylsulfonyl)-1-imidazolidinyl]phenyl]imino]-2-phenyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H23N5O3S
InChI InChI=1S/C21H23N5O3S/c1-15-13-18(24-11-12-25(14-24)30(3,28)29)9-10-19(15)22-20-16(2)23-26(21(20)27)17-7-5-4-6-8-17/h4-10,13H,11-12,14H2,1-3H3/b22-20-
InChIKey VFFLVDXZHOHINM-XDOYNYLZSA-N
Molecular Weight 425.507 g/mol
SMILES CC1=NN(C(=O)\C1=N\c1ccc(cc1C)N1CCN(C1)S(C)(=O)=O)c1ccccc1
SPLASH splash10-002f-9400100000-758e8316c1667a07d62e
Source of Spectrum JX-2015-4-332
Synonyms 3-Methyl-4-((2-methyl-4-(3-(methylsulfonyl)imidazolidin-1-yl)phenyl)imino)-1-phenyl-1H-pyrazol-5(4H)-one
Wiley ID 1725777