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
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.
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 |
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 | |
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Other Names | 3H-1,2,4-Triazol-3-one, 2,4-dihydro-4-methyl-5-[(5-nitro-2-thiazolyl)thio]- |