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2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxy-5-nitrophenyl)acetamide

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2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxy-5-nitrophenyl)acetamide
SpectraBase Compound ID 268z6z8z3Ig
InChI InChI=1S/C21H24ClN7O5S/c1-3-27-11-17(22)19(26-27)20-24-25-21(28(20)10-15-5-4-6-34-15)35-12-18(30)23-13-7-14(29(31)32)9-16(8-13)33-2/h7-9,11,15H,3-6,10,12H2,1-2H3,(H,23,30)
InChIKey WCKPIEJGNVPAPN-UHFFFAOYSA-N
Mol Weight 521.98 g/mol
Molecular Formula C21H24ClN7O5S
Exact Mass 521.124816 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6DVSRWV8VfM
Name 2-{[5-(4-chloro-1-ethyl-1H-pyrazol-3-yl)-4-(tetrahydro-2-furanylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-methoxy-5-nitrophenyl)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/C21H24ClN7O5S/c1-3-27-11-17(22)19(26-27)20-24-25-21(28(20)10-15-5-4-6-34-15)35-12-18(30)23-13-7-14(29(31)32)9-16(8-13)33-2/h7-9,11,15H,3-6,10,12H2,1-2H3,(H,23,30)
InChIKey WCKPIEJGNVPAPN-UHFFFAOYSA-N
NMR Offset 18.0362
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29877
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: 1353995; SBI_ID: SBI-029881
Temperature 318 °C