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N-[oxo-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-4-(trifluoromethyl)benzamide
SpectraBase Compound ID 1Hlh4bw9Qk5
InChI InChI=1S/C18H10F6N4O2S/c19-17(20,21)10-5-3-9(4-6-10)14(29)27-16(30)28-15-25-11(12-2-1-7-31-12)8-13(26-15)18(22,23)24/h1-8H,(H2,25,26,27,28,29,30)
InChIKey RCRZAKKLIAQTFL-UHFFFAOYSA-N
Mol Weight 460.35 g/mol
Molecular Formula C18H10F6N4O2S
Exact Mass 460.042866 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ac1uLzvDH36
Name N-[oxo-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]amino]methyl]-4-(trifluoromethyl)benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H10F6N4O2S
InChI InChI=1S/C18H10F6N4O2S/c19-17(20,21)10-5-3-9(4-6-10)14(29)27-16(30)28-15-25-11(12-2-1-7-31-12)8-13(26-15)18(22,23)24/h1-8H,(H2,25,26,27,28,29,30)
InChIKey RCRZAKKLIAQTFL-UHFFFAOYSA-N
Molecular Weight 460.354 g/mol
SMILES N(C(c1ccc(cc1)C(F)(F)F)=O)C(=O)Nc1nc(cc(-c2cccs2)n1)C(F)(F)F
SPLASH splash10-00dj-2960000000-bbd8375b87f5682ef6ba
Synonyms N-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-4-(trifluoromethyl)benzamide N-[[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]carbamoyl]-4-(trifluoromethyl)benzamide
Wiley ID 1443801