N1-Phenyl-2-({4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)-1,3-thiazol-5-yl]-4H-1,2,4-triazol-3-yl}thio)acetamide
6365
Reference
N1-Phenyl-2-({4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)-1,3-thiazol-5-yl]-4H-1,2,4-triazol-3-yl}thio)acetamide Structure
Systematic / IUPAC Name: 2-({4-Methyl-5-[4-methyl-2-(5-methyl-1,2-oxazol-3-yl)-1,3-thiazol-5-yl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-phenylacetamide
ID: Reference6365
Other Names: Acetamide, 2-({4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-4H-1,2,4-triazol-3-yl}thio)-N-phenyl-
Formula: C19H18N6O2S2
Spectral Data
N1-Phenyl-2-({4-methyl-5-[4-methyl-2-(5-methylisoxazol-3-yl)-1,3-thiazol-5-yl]-4H-1,2,4-triazol-3-yl}thio)acetamide mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
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 | 2/27/2017 8:18:47 AM |
Identificators
| InChI | InChI=1S/C19H18N6O2S2/c1-11-9-14(24-27-11)18-20-12(2)16(29-18)17-22-23-19(25(17)3)28-10-15(26)21-13-7-5-4-6-8-13/h4-9H,10H2,1-3H3,(H,21,26) |
| InChI Key | JTBGNFXVJLEFFC-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=NO1)C2=NC(=C(S2)C3=NN=C(N3C)SCC(=O)NC4=CC=CC=C4)C |
| CAS | |
| Splash | |
| Other Names | Acetamide, 2-({4-methyl-5-[4-methyl-2-(5-methyl-3-isoxazolyl)-5-thiazolyl]-4H-1,2,4-triazol-3-yl}thio)-N-phenyl- |
In Other Databases
| ChEMBL | CHEMBL1407949 |
| PubChem | 2745786 |
| ChemSpider | 2027266 |