N4-[5-(Methylthio)-4H-1,2,4-triazol-3-yl]-3-(2,6-dichlorophenyl)-5-methylisoxazole-4-carboxamide

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Systematic / IUPAC Name: 3-(2,6-Dichlorophenyl)-5-methyl-N-[3-(methylsulfanyl)-1H-1,2,4-triazol-5-yl]-1,2-oxazole-4-carboxamide

ID: Reference6100

Other Names: 4-Isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-

Formula: C14H11Cl2N5O2S

Spectral Data

N4-[5-(Methylthio)-4H-1,2,4-triazol-3-yl]-3-(2,6-dichlorophenyl)-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 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 11/25/2016 12:35:07 PM
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Identificators

InChI InChI=1S/C14H11Cl2N5O2S/c1-6-9(12(22)17-13-18-14(24-2)20-19-13)11(21-23-6)10-7(15)4-3-5-8(10)16/h3-5H,1-2H3,(H2,17,18,19,20,22)
InChI Key SWBDACXIDQFHKB-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3=NC(=NN3)SC
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Other Names 4-Isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[3-(methylthio)-1H-1,2,4-triazol-5-yl]-

In Other Databases

ChEMBL CHEMBL1569007
PubChem 2726548
ChemSpider 2008610