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3-[(2-chloro-6-fluorobenzyl)thio]-4-methyl-5-[2-(2-thienyl)-4-thiazolyl]-4H-1,2,4-triazole

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3-[(2-chloro-6-fluorobenzyl)thio]-4-methyl-5-[2-(2-thienyl)-4-thiazolyl]-4H-1,2,4-triazole
SpectraBase Compound ID H62FK1gzOlm
InChI InChI=1S/C17H12ClFN4S3/c1-23-15(13-9-25-16(20-13)14-6-3-7-24-14)21-22-17(23)26-8-10-11(18)4-2-5-12(10)19/h2-7,9H,8H2,1H3
InChIKey UFLDDOVYKQCMSV-UHFFFAOYSA-N
Mol Weight 422.94 g/mol
Molecular Formula C17H12ClFN4S3
Exact Mass 421.989666 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JwLRoyFzvWi
Name 3-[(2-CHLORO-6-FLUOROBENZYL)THIO]-4-METHYL-5-[2-(2-THIENYL)-4-THIAZOLYL]-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 C17H12ClFN4S3
InChI InChI=1S/C17H12ClFN4S3/c1-23-15(13-9-25-16(20-13)14-6-3-7-24-14)21-22-17(23)26-8-10-11(18)4-2-5-12(10)19/h2-7,9H,8H2,1H3
InChIKey UFLDDOVYKQCMSV-UHFFFAOYSA-N
Melting Point 162-164C
Molecular Weight 422.96
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms TRIAZOLE, 4H-1,2,4-, 3-//2-CHLORO- 6-FLUOROBENZYL/THIO/-4-METHYL- 5-/2-/2-THIENYL/-4-THIAZOLYL/-,