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

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N-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 6VTlXpSAeEf
InChI InChI=1S/C22H19ClN6O3S/c1-13-17(10-28(2)27-13)21-25-26-22(29(21)16-6-3-14(23)4-7-16)33-11-20(30)24-15-5-8-18-19(9-15)32-12-31-18/h3-10H,11-12H2,1-2H3,(H,24,30)
InChIKey TUFSWZKVVGZALC-UHFFFAOYSA-N
Mol Weight 482.95 g/mol
Molecular Formula C22H19ClN6O3S
Exact Mass 482.092787 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EN9mI8qmrAh
Name N-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(1,3-dimethyl-1H-pyrazol-4-yl)-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/C22H19ClN6O3S/c1-13-17(10-28(2)27-13)21-25-26-22(29(21)16-6-3-14(23)4-7-16)33-11-20(30)24-15-5-8-18-19(9-15)32-12-31-18/h3-10H,11-12H2,1-2H3,(H,24,30)
InChIKey TUFSWZKVVGZALC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_14452
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: UZI/1016944; UBI_ID: UBI-014455
Temperature 308 °C