4-(1,3-Benzodioxol-5-yl)-3-[4-(tert-butyl)phenyl]-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole
3634
Reference
4-(1,3-Benzodioxol-5-yl)-3-[4-(tert-butyl)phenyl]-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole Structure
Systematic / IUPAC Name: 4-(1,3-Benzodioxol-5-yl)-3-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-5-[4-(2-methyl-2-propanyl)phenyl]-4H-1,2,4-triazole
ID: Reference3634
Other Names: 4H-1,2,4-Triazole, 4-(1,3-benzodioxol-5-yl)-3-[4-(1,1-dimethylethyl)phenyl]-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]-
Formula: C23H22N6O4S
Spectral Data
4-(1,3-Benzodioxol-5-yl)-3-[4-(tert-butyl)phenyl]-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)sulfanyl]-4H-1,2,4-triazole 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 | Orbitrap Elite; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 2532 |
| Tandem Spectra | MS1, MS2, MS3, MS4, MS5, MS6 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/18/2016 11:15:03 AM |
Identificators
| InChI | InChI=1S/C23H22N6O4S/c1-23(2,3)15-7-5-14(6-8-15)19-25-26-22(34-21-20(29(30)31)24-12-27(21)4)28(19)16-9-10-17-18(11-16)33-13-32-17/h5-12H,13H2,1-4H3 |
| InChI Key | ZSSNEEABUOLKDQ-UHFFFAOYSA-N |
| Canonical SMILES | |
| CAS | |
| Splash | |
| Other Names | 4H-1,2,4-Triazole, 4-(1,3-benzodioxol-5-yl)-3-[4-(1,1-dimethylethyl)phenyl]-5-[(1-methyl-4-nitro-1H-imidazol-5-yl)thio]- |