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Ethyl 7-(phenyl)-2-methylthio-5-trifluoromethyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 459kepawkU
InChI InChI=1S/C16H15F3N4O2S/c1-3-25-13(24)10-11(9-7-5-4-6-8-9)23-14(21-15(22-23)26-2)20-12(10)16(17,18)19/h4-8,11H,3H2,1-2H3,(H,20,21,22)
InChIKey UXEMHXDCKUGTNL-UHFFFAOYSA-N
Mol Weight 384.38 g/mol
Molecular Formula C16H15F3N4O2S
Exact Mass 384.086781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KmyUFQGSD97
Name Ethyl 7-(phenyl)-2-methylthio-5-trifluoromethyl-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 C16H15F3N4O2S
InChI InChI=1S/C16H15F3N4O2S/c1-3-25-13(24)10-11(9-7-5-4-6-8-9)23-14(21-15(22-23)26-2)20-12(10)16(17,18)19/h4-8,11H,3H2,1-2H3,(H,20,21,22)
InChIKey UXEMHXDCKUGTNL-UHFFFAOYSA-N
Molecular Weight 384.377 g/mol
SMILES N1c2[n](C(C(=C1C(F)(F)F)C(=O)OCC)c1ccccc1)nc(n2)SC
SPLASH splash10-001r-0009000000-062645641770f159f957
Source of Spectrum Y-46-146-5u
Synonyms Ethyl 2-methylsulfanyl-7-phenyl-5-(trifluoromethyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666698