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N-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

View entire compound with spectra: 1 NMR

N-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GguVElgbsG7
InChI InChI=1S/C25H22ClFN4O4S/c1-33-20-12-15(13-21(34-2)23(20)35-3)24-29-30-25(31(24)19-10-6-17(27)7-11-19)36-14-22(32)28-18-8-4-16(26)5-9-18/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey SRLRBWSLTKZOPK-UHFFFAOYSA-N
Mol Weight 528.99 g/mol
Molecular Formula C25H22ClFN4O4S
Exact Mass 528.103432 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7x3PwFpBd60
Name N-(4-chlorophenyl)-2-{[4-(4-fluorophenyl)-5-(3,4,5-trimethoxyphenyl)-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/C25H22ClFN4O4S/c1-33-20-12-15(13-21(34-2)23(20)35-3)24-29-30-25(31(24)19-10-6-17(27)7-11-19)36-14-22(32)28-18-8-4-16(26)5-9-18/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey SRLRBWSLTKZOPK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29193
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: D91259; Labnumber: VGU-0022777; SBI_ID: SBI-029197
Temperature 318 °C