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

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

2-{[4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazol-3-yl]thio}acetanilide
SpectraBase Compound ID 4r9mjvAcQF0
InChI InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30)
InChIKey MXQZCSUSNZXZIO-UHFFFAOYSA-N
Mol Weight 452.96 g/mol
Molecular Formula C22H21ClN6OS
Exact Mass 452.118608 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ec4pQ9G1J9m
Name 2-{[4-(p-CHLOROPHENYL)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-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 C22H21ClN6OS
InChI InChI=1S/C22H21ClN6OS/c1-3-28-19(13-15(2)27-28)21-25-26-22(29(21)18-11-9-16(23)10-12-18)31-14-20(30)24-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,24,30)
InChIKey MXQZCSUSNZXZIO-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 161-163C
Molecular Weight 452.97
Solvent DMSO-d6; Reference=TMS; Temperature 297K