N4-[4-(Propylsulfonyl)-3-thienyl]-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide

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Systematic / IUPAC Name: 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-[4-(propylsulfonyl)-3-thienyl]-1,2-oxazole-4-carboxamide

ID: Reference5270

Other Names: 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(4-propylsulfonylthiophen-3-yl)-1,2-oxazole-4-carboxamide

Formula: C18H16ClFN2O4S2

Spectral Data

N4-[4-(Propylsulfonyl)-3-thienyl]-3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxamide 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 238
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 7/26/2016 6:50:23 AM
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Identificators

InChI InChI=1S/C18H16ClFN2O4S2/c1-3-7-28(24,25)14-9-27-8-13(14)21-18(23)15-10(2)26-22-17(15)16-11(19)5-4-6-12(16)20/h4-6,8-9H,3,7H2,1-2H3,(H,21,23)
InChI Key QHVOMEMRCSEBSH-UHFFFAOYSA-N
Canonical SMILES CCCS(=O)(=O)C1=CSC=C1NC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C
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Other Names 3-(2-Chloro-6-fluorophenyl)-5-methyl-N-(4-propylsulfonylthiophen-3-yl)-1,2-oxazole-4-carboxamide

In Other Databases

ChEMBL CHEMBL1733255
PubChem 2819905
ChemSpider 2098135