5-[3-(tert-Butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol
3519
Reference
5-[3-(tert-Butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol Structure
Systematic / IUPAC Name: 5-[1-(3-Methylbenzyl)-3-(2-methyl-2-propanyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2(3H)-thione
ID: Reference3519
Other Names:
Formula: C17H20N4OS
Spectral Data
5-[3-(tert-Butyl)-1-(3-methylbenzyl)-1H-pyrazol-5-yl]-1,3,4-oxadiazole-2-thiol 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 | 615 |
| Tandem Spectra | MS1, MS2, MS3, MS4 |
| Ionization Methods | ESI; NSI |
| Analyzers | IT; FT |
| Last Modification | 1/18/2016 10:00:26 AM |
Identificators
| InChI | InChI=1S/C17H20N4OS/c1-11-6-5-7-12(8-11)10-21-13(15-18-19-16(23)22-15)9-14(20-21)17(2,3)4/h5-9H,10H2,1-4H3,(H,19,23) |
| InChI Key | UEICSZSCEGYIDR-UHFFFAOYSA-N |
| Canonical SMILES | CC1=CC(=CC=C1)CN2C(=CC(=N2)C(C)(C)C)C3=NNC(=S)O3 |
| CAS | 306937166 |
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| Other Names |