4-{5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-thienyl}-2-(methylthio)pyrimidine

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Systematic / IUPAC Name: 4-{5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-thienyl}-2-(methylsulfanyl)pyrimidine

ID: Reference5624

Other Names: 4-[5-(4-Bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanylpyrimidine;
Pyrimidine, 4-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-thienyl}-2-(methylthio)-

Formula: C14H13BrN4O2S3

Spectral Data

4-{5-[(4-Bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-thienyl}-2-(methylthio)pyrimidine 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 9/15/2016 6:16:19 AM
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Identificators

InChI InChI=1S/C14H13BrN4O2S3/c1-8-13(15)9(2)19(18-8)24(20,21)12-5-4-11(23-12)10-6-7-16-14(17-10)22-3/h4-7H,1-3H3
InChI Key RGKIPPTUVGBBQM-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NN1S(=O)(=O)C2=CC=C(S2)C3=NC(=NC=C3)SC)C)Br
CAS
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Other Names 4-[5-(4-Bromo-3,5-dimethylpyrazol-1-yl)sulfonylthiophen-2-yl]-2-methylsulfanylpyrimidine;
Pyrimidine, 4-{5-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]-2-thienyl}-2-(methylthio)-

In Other Databases

ChemSpider 2098712
PubChem 2820483