John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=8YMiJ7JSrTa SpectraBase Spectrum ID=KWxM1oQGDnc

(accessed ).
2-{[5-(1-ethyl-3-methylpyrazol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 8YMiJ7JSrTa
InChI InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29)
InChIKey MVIVTGCXBIWVRO-UHFFFAOYSA-N
Mol Weight 418.52 g/mol
Molecular Formula C22H22N6OS
Exact Mass 418.157581 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KWxM1oQGDnc
Name 2-{[5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO}ACETANILIDE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N6OS
InChI InChI=1S/C22H22N6OS/c1-3-27-19(14-16(2)26-27)21-24-25-22(28(21)18-12-8-5-9-13-18)30-15-20(29)23-17-10-6-4-7-11-17/h4-14H,3,15H2,1-2H3,(H,23,29)
InChIKey MVIVTGCXBIWVRO-UHFFFAOYSA-N
Melting Point 144-146C
Molecular Weight 418.52
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
SpectraBase Batch ID KEFgWSTVwx0
Synonyms ACETANILIDE, 2-{[5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]THIO}-,