2-({5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-chlorophenyl)ethan-1-one

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Systematic / IUPAC Name: 2-({5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}sulfanyl)-1-(4-chlorophenyl)ethanone

ID: Reference4709

Other Names: Ethanone, 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-chlorophenyl)-

Formula: C16H14BrClN4O2S

Spectral Data

2-({5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-chlorophenyl)ethan-1-one 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 4/28/2016 12:58:16 PM
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Identificators

InChI InChI=1S/C16H14BrClN4O2S/c1-9-15(17)10(2)22(21-9)7-14-19-20-16(24-14)25-8-13(23)11-3-5-12(18)6-4-11/h3-6H,7-8H2,1-2H3
InChI Key RNYYTOLTIKKNBG-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NN1CC2=NN=C(O2)SCC(=O)C3=CC=C(C=C3)Cl)C)Br
CAS
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Other Names Ethanone, 2-({5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-1,3,4-oxadiazol-2-yl}thio)-1-(4-chlorophenyl)-

In Other Databases

ChemSpider 2098955
PubChem 2820726