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

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N-(5-chloro-2-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID LDTybK50Aqh
InChI InChI=1S/C20H21ClN4O2S/c1-4-25-19(14-6-5-7-16(10-14)27-3)23-24-20(25)28-12-18(26)22-17-11-15(21)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey UPAYVBVDMHNQLL-UHFFFAOYSA-N
Mol Weight 416.93 g/mol
Molecular Formula C20H21ClN4O2S
Exact Mass 416.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AVTIWREtbF9
Name N-(5-chloro-2-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-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/C20H21ClN4O2S/c1-4-25-19(14-6-5-7-16(10-14)27-3)23-24-20(25)28-12-18(26)22-17-11-15(21)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,22,26)
InChIKey UPAYVBVDMHNQLL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11445
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: E06342; Labnumber: GRES-20980; SBI_ID: SBI-011448
Temperature 308 °C