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

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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID Hpdr3IySW3G
InChI InChI=1S/C24H17Cl2F3N4O2S/c1-35-18-4-2-3-14(11-18)22-31-32-23(33(22)17-8-6-16(25)7-9-17)36-13-21(34)30-20-12-15(24(27,28)29)5-10-19(20)26/h2-12H,13H2,1H3,(H,30,34)
InChIKey KJZDFRHINITOEL-UHFFFAOYSA-N
Mol Weight 553.39 g/mol
Molecular Formula C24H17Cl2F3N4O2S
Exact Mass 552.040137 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8CiNGumrnKq
Name 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[2-chloro-5-(trifluoromethyl)phenyl]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/C24H17Cl2F3N4O2S/c1-35-18-4-2-3-14(11-18)22-31-32-23(33(22)17-8-6-16(25)7-9-17)36-13-21(34)30-20-12-15(24(27,28)29)5-10-19(20)26/h2-12H,13H2,1H3,(H,30,34)
InChIKey KJZDFRHINITOEL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11359
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: E06671; Labnumber: GRES-27255; SBI_ID: SBI-011362
Temperature 318 °C