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Ethyl 7-(4-methoxyphenyl)-2-methylthio-5-trifluoroomethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID DzF7lSIyEnQ
InChI InChI=1S/C17H17F3N4O3S/c1-4-27-14(25)11-12(9-5-7-10(26-2)8-6-9)24-15(22-16(23-24)28-3)21-13(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23)
InChIKey YGHVDONOPWWPIL-UHFFFAOYSA-N
Mol Weight 414.4 g/mol
Molecular Formula C17H17F3N4O3S
Exact Mass 414.097346 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nc61JHKlx
Name Ethyl 7-(4-methoxyphenyl)-2-methylthio-5-trifluoroomethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17F3N4O3S
InChI InChI=1S/C17H17F3N4O3S/c1-4-27-14(25)11-12(9-5-7-10(26-2)8-6-9)24-15(22-16(23-24)28-3)21-13(11)17(18,19)20/h5-8,12H,4H2,1-3H3,(H,21,22,23)
InChIKey YGHVDONOPWWPIL-UHFFFAOYSA-N
Molecular Weight 414.403 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)OCC)c1ccc(cc1)OC)nc(n2)SC
SPLASH splash10-03xu-0029700000-ec70bed16c02cba7f418
Source of Spectrum Y-46-146-5o
Synonyms Ethyl 7-(4-methoxyphenyl)-2-methylsulfanyl-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666704