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Ethyl 5-(methylthio)-2-(o-chlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
SpectraBase Compound ID 7Nx0pmtZwO1
InChI InChI=1S/C15H13ClN4O2S/c1-3-22-14(21)10-8-17-15(23-2)20-13(10)18-12(19-20)9-6-4-5-7-11(9)16/h4-8H,3H2,1-2H3
InChIKey PHTQNAIJMDUFHB-UHFFFAOYSA-N
Mol Weight 348.81 g/mol
Molecular Formula C15H13ClN4O2S
Exact Mass 348.044775 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72TbmKlAZA8
Name Ethyl 5-(methylthio)-2-(o-chlorophenyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
CAS Registry Number 78514-98-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H13ClN4O2S
InChI InChI=1S/C15H13ClN4O2S/c1-3-22-14(21)10-8-17-15(23-2)20-13(10)18-12(19-20)9-6-4-5-7-11(9)16/h4-8H,3H2,1-2H3
InChIKey PHTQNAIJMDUFHB-UHFFFAOYSA-N
Molecular Weight 348.808 g/mol
SMILES c12[n](nc(n2)-c2c(Cl)cccc2)C(=NC=C1C(=O)OCC)SC
SPLASH splash10-0f92-0139000000-db3979cdaa3fb451ca92
Source of Spectrum J-46-3958-0
Synonyms Ethyl 2-(2-chlorophenyl)-5-(methylsulfanyl)[1,2,4]triazolo[1,5-c]pyrimidine-8-carboxylate
Wiley ID 1340348