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Ethyl 7-hydroxy-7-methyl-5-(4-chlorophenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate

View entire compound with spectra: 1 MS (GC)

Ethyl 7-hydroxy-7-methyl-5-(4-chlorophenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
SpectraBase Compound ID 1oeIgQafWVr
InChI InChI=1S/C22H23ClN4O3S/c1-3-30-19(28)17-18(15-9-11-16(23)12-10-15)24-20-25-21(26-27(20)22(17,2)29)31-13-14-7-5-4-6-8-14/h4-12,17-18,29H,3,13H2,1-2H3,(H,24,25,26)
InChIKey NBPMYFQOBWTTKC-UHFFFAOYSA-N
Mol Weight 458.96 g/mol
Molecular Formula C22H23ClN4O3S
Exact Mass 458.117939 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6xnJfD8JTjA
Name Ethyl 7-hydroxy-7-methyl-5-(4-chlorophenyl)-2-benzylthio-4,5,6,7-tetrahydro-1,2,4-triazolo[1.5-a]pyrimidine-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23ClN4O3S
InChI InChI=1S/C22H23ClN4O3S/c1-3-30-19(28)17-18(15-9-11-16(23)12-10-15)24-20-25-21(26-27(20)22(17,2)29)31-13-14-7-5-4-6-8-14/h4-12,17-18,29H,3,13H2,1-2H3,(H,24,25,26)
InChIKey NBPMYFQOBWTTKC-UHFFFAOYSA-N
Molecular Weight 458.964 g/mol
SMILES N1C(C(C([n]2c1nc(n2)SCc1ccccc1)(O)C)C(=O)OCC)c1ccc(cc1)Cl
SPLASH splash10-0pxr-0492000000-266ec77e2adc56a153ea
Source of Spectrum Y-46-147-6h
Synonyms 5-(4-Chlorophenyl)-7-hydroxy-7-methyl-2-(phenylmethylthio)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid ethyl ester Ethyl 2-benzylsulfanyl-5-(4-chlorophenyl)-7-hydroxy-7-methyl-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Ethyl 5-(4-chlorophenyl)-7-methyl-7-oxidanyl-2-(phenylmethylsulfanyl)-5,6-dihydro-1H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Wiley ID 1666694