3-(Allylthio)-5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-4H-1,2,4-triazole

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Systematic / IUPAC Name: 3-(Allylsulfanyl)-5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-4H-1,2,4-triazole

ID: Reference3826

Other Names: 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-(2-propen-1-ylthio)-

Formula: C15H18ClN3O2S

Spectral Data

3-(Allylthio)-5-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-4H-1,2,4-triazole 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 2/15/2016 9:15:05 AM
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Identificators

InChI InChI=1S/C15H18ClN3O2S/c1-4-9-22-15-18-17-14(11-5-7-12(16)8-6-11)19(15)10-13(20-2)21-3/h4-8,13H,1,9-10H2,2-3H3
InChI Key DVZHNMWMBDTZIF-UHFFFAOYSA-N
Canonical SMILES COC(CN1C(=NN=C1SCC=C)C2=CC=C(C=C2)Cl)OC
CAS
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Other Names 4H-1,2,4-Triazole, 3-(4-chlorophenyl)-4-(2,2-dimethoxyethyl)-5-(2-propen-1-ylthio)-

In Other Databases

PubChem 2745525
ChemSpider 2027005