5-({[5-(tert-Butyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-[3-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

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Systematic / IUPAC Name: 5-({[5-(2-Methyl-2-propanyl)-1H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-[3-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole

ID: Reference3866

Other Names: 1,2,4-Oxadiazole, 5-({[5-(1,1-dimethylethyl)-1H-1,2,4-triazol-3-yl]thio}methyl)-3-[3-(1H-pyrrol-1-yl)phenyl]-

Formula: C19H20N6OS

Spectral Data

5-({[5-(tert-Butyl)-4H-1,2,4-triazol-3-yl]thio}methyl)-3-[3-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole 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 2
No. of Spectra 234
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 2/15/2016 2:40:30 PM
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Identificators

InChI InChI=1S/C19H20N6OS/c1-19(2,3)17-21-18(23-22-17)27-12-15-20-16(24-26-15)13-7-6-8-14(11-13)25-9-4-5-10-25/h4-11H,12H2,1-3H3,(H,21,22,23)
InChI Key FCTNMRJFMXDDSC-UHFFFAOYSA-N
Canonical SMILES CC(C)(C)C1=NC(=NN1)SCC2=NC(=NO2)C3=CC(=CC=C3)N4C=CC=C4
CAS
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Other Names 1,2,4-Oxadiazole, 5-({[5-(1,1-dimethylethyl)-1H-1,2,4-triazol-3-yl]thio}methyl)-3-[3-(1H-pyrrol-1-yl)phenyl]-

In Other Databases

PubChem 2743452
ChemSpider 2024969