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3-methyl-N-{[4-methyl-5-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide

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3-methyl-N-{[4-methyl-5-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
SpectraBase Compound ID AqUUdwvvmhh
InChI InChI=1S/C23H22N6O2S2/c1-15-7-6-10-17(11-15)21(31)24-12-19-27-28-23(29(19)2)33-14-20(30)26-22-25-18(13-32-22)16-8-4-3-5-9-16/h3-11,13H,12,14H2,1-2H3,(H,24,31)(H,25,26,30)
InChIKey CBXIBJVSMATMPF-UHFFFAOYSA-N
Mol Weight 478.59 g/mol
Molecular Formula C23H22N6O2S2
Exact Mass 478.124566 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KZkHvGMzLD8
Name 3-methyl-N-{[4-methyl-5-({2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C23H22N6O2S2/c1-15-7-6-10-17(11-15)21(31)24-12-19-27-28-23(29(19)2)33-14-20(30)26-22-25-18(13-32-22)16-8-4-3-5-9-16/h3-11,13H,12,14H2,1-2H3,(H,24,31)(H,25,26,30)
InChIKey CBXIBJVSMATMPF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7287
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D29029; Labnumber: SPABU-2688; SBI_ID: SBI-007290
Temperature 306 °C