4-Allyl-5-{[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-4H-1,2,4-triazole-3-thiol

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Systematic / IUPAC Name: 4-Allyl-5-{[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-2,4-dihydro-3H-1,2,4-triazole-3-thione

ID: Reference4681

Other Names: 3H-1,2,4-Triazole-3-thione, 5-{[(5-bromo-2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]methyl}-2,4-dihydro-4-(2-propen-1-yl)-

Formula: C16H18BrN3OS

Spectral Data

4-Allyl-5-{[(5-bromo-7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]methyl}-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 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 8:53:49 AM
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Identificators

InChI InChI=1S/C16H18BrN3OS/c1-3-7-20-14(18-19-16(20)22)9-21-15-12-6-4-5-11(12)10(2)8-13(15)17/h3,8H,1,4-7,9H2,2H3,(H,19,22)
InChI Key DZWBLASOPXXFIW-UHFFFAOYSA-N
Canonical SMILES CC1=CC(=C(C2=C1CCC2)OCC3=NNC(=S)N3CC=C)Br
CAS
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Other Names 3H-1,2,4-Triazole-3-thione, 5-{[(5-bromo-2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]methyl}-2,4-dihydro-4-(2-propen-1-yl)-

In Other Databases

PubChem 2728250
ChemSpider 2010248