2-{[5-Hydroxy-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
4117
Reference
2-{[5-Hydroxy-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide Structure
Systematic / IUPAC Name: 2-{[5-Oxo-4-(3-pyridinyl)-4,5-dihydro-1H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide
ID: Reference4117
Other Names: Acetamide, 2-{[4,5-dihydro-5-oxo-4-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio}-N-phenyl-
Formula: C15H13N5O2S
Spectral Data
2-{[5-Hydroxy-4-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-phenylacetamide 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 | 2 |
| No. of Spectra | 238 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/9/2016 10:43:15 AM |
Identificators
| InChI | InChI=1S/C15H13N5O2S/c21-13(17-11-5-2-1-3-6-11)10-23-15-19-18-14(22)20(15)12-7-4-8-16-9-12/h1-9H,10H2,(H,17,21)(H,18,22) |
| InChI Key | WWTWWOAKOAWSPO-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC=C(C=C1)NC(=O)CSC2=NNC(=O)N2C3=CN=CC=C3 |
| CAS | |
| Splash | |
| Other Names | Acetamide, 2-{[4,5-dihydro-5-oxo-4-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio}-N-phenyl- |
In Other Databases
| PubChem | 2814342 |
| ChEMBL | CHEMBL1463927 |
| ChemSpider | 2092731 |