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3-(benzylthio)-4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazole

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3-(benzylthio)-4-(p-chlorophenyl)-5-(1-ethyl-3-methylpyrazol-5-yl)-4H-1,2,4-triazole
SpectraBase Compound ID JB6XmwbCDdZ
InChI InChI=1S/C21H20ClN5S/c1-3-26-19(13-15(2)25-26)20-23-24-21(28-14-16-7-5-4-6-8-16)27(20)18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3
InChIKey ZKUYVIXEOPKDOK-UHFFFAOYSA-N
Mol Weight 409.94 g/mol
Molecular Formula C21H20ClN5S
Exact Mass 409.112795 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 83va9yGLJea
Name 3-(BENZYLTHIO)-4-(p-CHLOROPHENYL)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-4H-1,2,4-TRIAZOLE
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20ClN5S
InChI InChI=1S/C21H20ClN5S/c1-3-26-19(13-15(2)25-26)20-23-24-21(28-14-16-7-5-4-6-8-16)27(20)18-11-9-17(22)10-12-18/h4-13H,3,14H2,1-2H3
InChIKey ZKUYVIXEOPKDOK-UHFFFAOYSA-N
Melting Point 144-146C
Molecular Weight 409.94
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TRIAZOLE, 4H-1,2,4-, 3-(BENZYLTHIO)-4-(p-CHLOROPHENYL)-5-(1-ETHYL-3-METHYLPYRAZOL-5-YL)-,