4-Methyl-5-[(5-nitro-1,3-thiazol-2-yl)thio]-4H-1,2,4-triazol-3-ol
8491
Reference
4-Methyl-5-[(5-nitro-1,3-thiazol-2-yl)thio]-4H-1,2,4-triazol-3-ol Structure
Systematic / IUPAC Name: 4-Methyl-5-[(5-nitro-1,3-thiazol-2-yl)sulfanyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
ID: Reference8491
Other Names: 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-[(5-nitro-2-thiazolyl)thio]-
Formula: C6H5N5O3S2
Spectral Data
4-Methyl-5-[(5-nitro-1,3-thiazol-2-yl)thio]-4H-1,2,4-triazol-3-ol 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 | 109 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 1/4/2019 8:40:51 AM |
Identificators
| InChI | InChI=1S/C6H5N5O3S2/c1-10-4(12)8-9-5(10)16-6-7-2-3(15-6)11(13)14/h2H,1H3,(H,8,12) |
| InChI Key | PIUSODGZNYENTI-UHFFFAOYSA-N |
| Canonical SMILES | CN1C(=O)NN=C1SC2=NC=C(S2)[N+](=O)[O-] |
| CAS | |
| Splash | |
| Other Names | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-[(5-nitro-2-thiazolyl)thio]- |