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Ethyl 7-(4-chlorophenyl)-2-benzylthio-5-methyl-4,7-dihydro-1,2,4-triazolo[1,5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID K8cceZZHGLG
InChI InChI=1S/C22H21ClN4O2S/c1-3-29-20(28)18-14(2)24-21-25-22(30-13-15-7-5-4-6-8-15)26-27(21)19(18)16-9-11-17(23)12-10-16/h4-12,19H,3,13H2,1-2H3,(H,24,25,26)
InChIKey CJONTDFRGGHNDU-UHFFFAOYSA-N
Mol Weight 440.95 g/mol
Molecular Formula C22H21ClN4O2S
Exact Mass 440.107375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CF2o91DR4ZE
Name Ethyl 7-(4-chlorophenyl)-2-benzylthio-5-methyl-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 C22H21ClN4O2S
InChI InChI=1S/C22H21ClN4O2S/c1-3-29-20(28)18-14(2)24-21-25-22(30-13-15-7-5-4-6-8-15)26-27(21)19(18)16-9-11-17(23)12-10-16/h4-12,19H,3,13H2,1-2H3,(H,24,25,26)
InChIKey CJONTDFRGGHNDU-UHFFFAOYSA-N
Molecular Weight 440.949 g/mol
SMILES N1C(=C(C([n]2c1nc(n2)SCc1ccccc1)c1ccc(cc1)Cl)C(=O)OCC)C
SPLASH splash10-0006-0213900000-43028e485ccf9344839f
Source of Spectrum Y-46-144-5h
Synonyms 7-(4-Chlorophenyl)-5-methyl-2-(phenylmethylthio)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-7-(4-chlorophenyl)-5-methyl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 7-(4-chlorophenyl)-5-methyl-2-(phenylmethylsulfanyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666711