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2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-diketo-pyrrolidin-3-yl]-1-(3,5-dichloro-4-hydroxy-phenyl)-3-ethyl-isothiourea

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2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-diketo-pyrrolidin-3-yl]-1-(3,5-dichloro-4-hydroxy-phenyl)-3-ethyl-isothiourea
SpectraBase Compound ID IJCySWbXuWD
InChI InChI=1S/C20H16Cl3F2N3O4S/c1-2-26-19(27-10-7-13(21)17(30)14(22)8-10)33-15-9-16(29)28(18(15)31)11-3-5-12(6-4-11)32-20(23,24)25/h3-8,15,30H,2,9H2,1H3,(H,26,27)
InChIKey VYPHNTBTYYCSMB-UHFFFAOYSA-N
Mol Weight 538.78 g/mol
Molecular Formula C20H16Cl3F2N3O4S
Exact Mass 536.989517 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID QbI14vFMO
Name 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-diketo-pyrrolidin-3-yl]-1-(3,5-dichloro-4-hydroxy-phenyl)-3-ethyl-isothiourea
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H16Cl3F2N3O4S
InChI InChI=1S/C20H16Cl3F2N3O4S/c1-2-26-19(27-10-7-13(21)17(30)14(22)8-10)33-15-9-16(29)28(18(15)31)11-3-5-12(6-4-11)32-20(23,24)25/h3-8,15,30H,2,9H2,1H3,(H,26,27)
InChIKey VYPHNTBTYYCSMB-UHFFFAOYSA-N
Molecular Weight 538.781 g/mol
SMILES N(\C(=N/c1cc(c(c(c1)Cl)O)Cl)SC1C(N(C(C1)=O)c1ccc(OC(F)(F)Cl)cc1)=O)CC
SPLASH splash10-0ap0-9641000000-6fc15334eaee4a994dc8
Synonyms 2-[1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-pyrrolidin-3-yl]-1-(3,5-dichloro-4-hydroxy-phenyl)-3-ethyl-isothiourea N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioic acid [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxo-3-pyrrolidinyl] ester [1-[4-[chloro(difluoro)methoxy]phenyl]-2,5-dioxopyrrolidin-3-yl] N-(3,5-dichloro-4-hydroxyphenyl)-N'-ethylcarbamimidothioate
Wiley ID 1448242