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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID BAM3io5t7bW
InChI InChI=1S/C25H20ClF3N4O2S/c1-15-3-5-16(6-4-15)23-31-32-24(33(23)18-8-10-19(35-2)11-9-18)36-14-22(34)30-21-13-17(25(27,28)29)7-12-20(21)26/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey NNRXNLNYGIWRBG-UHFFFAOYSA-N
Mol Weight 532.97 g/mol
Molecular Formula C25H20ClF3N4O2S
Exact Mass 532.094759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1cGyCimOnWo
Name N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
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/C25H20ClF3N4O2S/c1-15-3-5-16(6-4-15)23-31-32-24(33(23)18-8-10-19(35-2)11-9-18)36-14-22(34)30-21-13-17(25(27,28)29)7-12-20(21)26/h3-13H,14H2,1-2H3,(H,30,34)
InChIKey NNRXNLNYGIWRBG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14515
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: D98626; Labnumber: GRES-23895; SBI_ID: SBI-014518
Temperature 308 °C