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7-(4-Chlorophenyl)-2-(ethylthio)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 9C4D5ucbyTq
InChI InChI=1S/C21H20ClN5OS/c1-3-29-21-25-20-23-13(2)17(19(28)24-16-7-5-4-6-8-16)18(27(20)26-21)14-9-11-15(22)12-10-14/h4-12,18H,3H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKey LNFHQTQTSYVLAA-UHFFFAOYSA-N
Mol Weight 425.94 g/mol
Molecular Formula C21H20ClN5OS
Exact Mass 425.107709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4aTGjl8cwWK
Name 7-(4-Chlorophenyl)-2-(ethylthio)-5-methyl-N-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClN5OS
InChI InChI=1S/C21H20ClN5OS/c1-3-29-21-25-20-23-13(2)17(19(28)24-16-7-5-4-6-8-16)18(27(20)26-21)14-9-11-15(22)12-10-14/h4-12,18H,3H2,1-2H3,(H,24,28)(H,23,25,26)
InChIKey LNFHQTQTSYVLAA-UHFFFAOYSA-N
Molecular Weight 425.938 g/mol
SMILES N1c2[n](C(C(C(Nc3ccccc3)=O)=C1C)c1ccc(cc1)Cl)nc(n2)SCC
SPLASH splash10-016r-9602100000-cf89f58d0d5d960571bf
Source of Spectrum F-67-9395-5b
Synonyms 7-(4-Chlorophenyl)-2-ethylsulfanyl-5-methyl-N-phenyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Wiley ID 1713605