FR140423

enlarge

Systematic / IUPAC Name: 3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-[4-(methylsulfinyl)phenyl]-1H-pyrazole

ID: Reference2912

Other Names: 1H-Pyrazole,3-(difluoromethyl)-1-(4-methoxyphenyl)-5-[4-(methylsulfinyl)phenyl]-;
3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-[4-(methylsulfinyl)phenyl]pyrazole ;
Difpas-pyrazole

Formula: C18H16F2N2O2S

Spectral Data

FR140423 mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 118
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/15/2015 12:23:25 PM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C18H16F2N2O2S/c1-24-14-7-5-13(6-8-14)22-17(11-16(21-22)18(19)20)12-3-9-15(10-4-12)25(2)23/h3-11,18H,1-2H3
InChI Key JJAPPCJXQFKMJL-UHFFFAOYSA-N
Canonical SMILES COC1=CC=C(C=C1)N2C(=CC(=N2)C(F)F)C3=CC=C(C=C3)S(=O)C
CAS 151506444
Splash
Other Names 1H-Pyrazole,3-(difluoromethyl)-1-(4-methoxyphenyl)-5-[4-(methylsulfinyl)phenyl]-;
3-(Difluoromethyl)-1-(4-methoxyphenyl)-5-[4-(methylsulfinyl)phenyl]pyrazole ;
Difpas-pyrazole

In Other Databases

ChEMBL CHEMBL3188396
PubChem 132932
ChemIDPlus 151506444
ChemSpider 117317