N4-{[5-(Methylthio)-2-thienyl]methyl}-3,5-dimethylisoxazole-4-carboxamide

enlarge

Systematic / IUPAC Name: 3,5-Dimethyl-N-{[5-(methylsulfanyl)-2-thienyl]methyl}-1,2-oxazole-4-carboxamide

ID: Reference4685

Other Names: 4-Isoxazolecarboxamide, 3,5-dimethyl-N-{[5-(methylthio)-2-thienyl]methyl}-

Formula: C12H14N2O2S2

Spectral Data

N4-{[5-(Methylthio)-2-thienyl]methyl}-3,5-dimethylisoxazole-4-carboxamide 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 117
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 4/27/2016 10:41:03 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C12H14N2O2S2/c1-7-11(8(2)16-14-7)12(15)13-6-9-4-5-10(17-3)18-9/h4-5H,6H2,1-3H3,(H,13,15)
InChI Key LDEWAVCZLXNVMN-UHFFFAOYSA-N
Canonical SMILES CC1=C(C(=NO1)C)C(=O)NCC2=CC=C(S2)SC
CAS
Splash
Other Names 4-Isoxazolecarboxamide, 3,5-dimethyl-N-{[5-(methylthio)-2-thienyl]methyl}-

In Other Databases

PubChem 2740429
ChemSpider 2022022
ChEMBL CHEMBL1864791