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N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methyl-ethanamide
SpectraBase Compound ID CowHRYyZEho
InChI InChI=1S/C22H17ClF5N3O3S/c1-31(14-5-9-16(10-6-14)34-22(23,27)28)19(32)12-35-20-29-17(11-18(30-20)21(24,25)26)13-3-7-15(33-2)8-4-13/h3-11H,12H2,1-2H3
InChIKey XYUZOUFZIIEPIS-UHFFFAOYSA-N
Mol Weight 533.9 g/mol
Molecular Formula C22H17ClF5N3O3S
Exact Mass 533.059931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K5tdZx2rEtH
Name N-[4-[chloranyl-bis(fluoranyl)methoxy]phenyl]-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methyl-ethanamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H17ClF5N3O3S
InChI InChI=1S/C22H17ClF5N3O3S/c1-31(14-5-9-16(10-6-14)34-22(23,27)28)19(32)12-35-20-29-17(11-18(30-20)21(24,25)26)13-3-7-15(33-2)8-4-13/h3-11H,12H2,1-2H3
InChIKey XYUZOUFZIIEPIS-UHFFFAOYSA-N
Molecular Weight 533.901 g/mol
SMILES c1(nc(C(F)(F)F)cc(n1)-c1ccc(cc1)OC)SCC(N(c1ccc(OC(F)(F)Cl)cc1)C)=O
SPLASH splash10-0079-3591000000-4cc12c560e476f3e83b5
Synonyms N-[4-[chloro(difluoro)methoxy]phenyl]-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-N-methylacetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-N-methyl-acetamide N-[4-[chloro(difluoro)methoxy]phenyl]-2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-N-methylacetamide
Wiley ID 1443085