4-{5-[(2-Chloro-6-fluorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}-2-(2-thienyl)-1,3-thiazole

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Systematic / IUPAC Name: 3-[(2-Chloro-6-fluorobenzyl)sulfanyl]-4-methyl-5-[2-(2-thienyl)-1,3-thiazol-4-yl]-4H-1,2,4-triazole

ID: Reference4096

Other Names: Thiazole, 4-(5-{[(2-chloro-6-fluorophenyl)methyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-thienyl)-

Formula: C17H12ClFN4S3

Spectral Data

4-{5-[(2-Chloro-6-fluorobenzyl)thio]-4-methyl-4H-1,2,4-triazol-3-yl}-2-(2-thienyl)-1,3-thiazole mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 3/8/2016 9:40:37 AM
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Identificators

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
InChI Key UFLDDOVYKQCMSV-UHFFFAOYSA-N
Canonical SMILES CN1C(=NN=C1SCC2=C(C=CC=C2Cl)F)C3=CSC(=N3)C4=CC=CS4
CAS
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Other Names Thiazole, 4-(5-{[(2-chloro-6-fluorophenyl)methyl]thio}-4-methyl-4H-1,2,4-triazol-3-yl)-2-(2-thienyl)-

In Other Databases

PubChem 2744116
ChemSpider 2025619