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2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

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2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SpectraBase Compound ID 7gVP36dDecG
InChI InChI=1S/C29H28ClN5OS/c1-17-8-11-22(12-9-17)26-25(27(36)32-24-13-10-18(2)14-19(24)3)20(4)31-28-33-29(34-35(26)28)37-16-21-6-5-7-23(30)15-21/h5-15,26H,16H2,1-4H3,(H,32,36)(H,31,33,34)
InChIKey XXKGYFDXXDTSEI-UHFFFAOYSA-N
Mol Weight 530.09 g/mol
Molecular Formula C29H28ClN5OS
Exact Mass 529.170309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 47ZwurUwFey
Name 2-[(3-chlorobenzyl)sulfanyl]-N-(2,4-dimethylphenyl)-5-methyl-7-(4-methylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 529.170309415 u
Formula C29H28ClN5OS
InChI InChI=1S/C29H28ClN5OS/c1-17-8-11-22(12-9-17)26-25(27(36)32-24-13-10-18(2)14-19(24)3)20(4)31-28-33-29(34-35(26)28)37-16-21-6-5-7-23(30)15-21/h5-15,26H,16H2,1-4H3,(H,32,36)(H,31,33,34)
InChIKey XXKGYFDXXDTSEI-UHFFFAOYSA-N
Molecular Weight 530.090 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6687
Solvent DMSO-d6
Source Vendor ID: NMR/12329003