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

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N-(4-chloro-2-methylphenyl)-2-{[4-phenyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID FXYUrtEjjdt
InChI InChI=1S/C21H17ClN4OS2/c1-14-12-15(22)9-10-17(14)23-19(27)13-29-21-25-24-20(18-8-5-11-28-18)26(21)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,27)
InChIKey BCKSIPWWPYYNDY-UHFFFAOYSA-N
Mol Weight 440.97 g/mol
Molecular Formula C21H17ClN4OS2
Exact Mass 440.053231 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Pso2NVWeXo
Name N-(4-chloro-2-methylphenyl)-2-{[4-phenyl-5-(2-thienyl)-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/C21H17ClN4OS2/c1-14-12-15(22)9-10-17(14)23-19(27)13-29-21-25-24-20(18-8-5-11-28-18)26(21)16-6-3-2-4-7-16/h2-12H,13H2,1H3,(H,23,27)
InChIKey BCKSIPWWPYYNDY-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18119
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: D31838; Labnumber: VGU-0022746; SBI_ID: SBI-018122
Temperature 308 °C