4-Allyl-5-(3,4-dimethoxybenzyl)-4H-1,2,4-triazole-3-thiol

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Systematic / IUPAC Name: 4-Allyl-5-(3,4-dimethoxybenzyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference4756

Other Names: 4-Allyl-5-(3,4-dimethoxy-benzyl)-4H-[1,2,4]triazole-3-thiol;
3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-4-(2-propen-1-yl)-

Formula: C14H17N3O2S

Spectral Data

4-Allyl-5-(3,4-dimethoxybenzyl)-4H-1,2,4-triazole-3-thiol 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 5/10/2016 8:53:15 AM
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Identificators

InChI InChI=1S/C14H17N3O2S/c1-4-7-17-13(15-16-14(17)20)9-10-5-6-11(18-2)12(8-10)19-3/h4-6,8H,1,7,9H2,2-3H3,(H,16,20)
InChI Key TVRKUJHDBCLRPX-UHFFFAOYSA-N
Canonical SMILES COC1=C(C=C(C=C1)CC2=NNC(=S)N2CC=C)OC
CAS
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Other Names 4-Allyl-5-(3,4-dimethoxy-benzyl)-4H-[1,2,4]triazole-3-thiol;
3H-1,2,4-Triazole-3-thione, 5-[(3,4-dimethoxyphenyl)methyl]-2,4-dihydro-4-(2-propen-1-yl)-

In Other Databases

ChemSpider 716432
PubChem 820007