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

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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID C3A5oHTCXOF
InChI InChI=1S/C22H23ClN4O3S/c1-5-9-27-21(15-7-6-8-16(11-15)29-3)25-26-22(27)31-13-20(28)24-18-10-14(2)17(23)12-19(18)30-4/h5-8,10-12H,1,9,13H2,2-4H3,(H,24,28)
InChIKey NWRBNRXVADIVFJ-UHFFFAOYSA-N
Mol Weight 458.96 g/mol
Molecular Formula C22H23ClN4O3S
Exact Mass 458.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8HbY5nquPtg
Name 2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)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/C22H23ClN4O3S/c1-5-9-27-21(15-7-6-8-16(11-15)29-3)25-26-22(27)31-13-20(28)24-18-10-14(2)17(23)12-19(18)30-4/h5-8,10-12H,1,9,13H2,2-4H3,(H,24,28)
InChIKey NWRBNRXVADIVFJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11138
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: E06138; Labnumber: GRES-16823; SBI_ID: SBI-011141
Temperature 306 °C