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2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide

View entire compound with spectra: 3 NMR, and 1 FTIR

2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-(3-methoxypropyl)-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 2R2BK4jan9F
InChI InChI=1S/C20H26N6O2S/c1-4-26-17(13-15(2)24-26)19-22-23-20(25(19)11-8-12-28-3)29-14-18(27)21-16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,21,27)
InChIKey HUYCSAVBBOBIKG-UHFFFAOYSA-N
Mol Weight 414.53 g/mol
Molecular Formula C20H26N6O2S
Exact Mass 414.183795 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ClerBOBkWxv
Name 2-{[5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-(3-METHOXYPROPYL)-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H26N6O2S
InChI InChI=1S/C20H26N6O2S/c1-4-26-17(13-15(2)24-26)19-22-23-20(25(19)11-8-12-28-3)29-14-18(27)21-16-9-6-5-7-10-16/h5-7,9-10,13H,4,8,11-12,14H2,1-3H3,(H,21,27)
InChIKey HUYCSAVBBOBIKG-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 140-142C
Molecular Weight 414.53
Solvent DMSO-d6; Reference=TMS; Temperature 297K