| SpectraBase Spectrum ID |
GtVIEP7oZbK |
| Name |
1H-1,2,4-Triazole, 5-(dodecylthio)-1-[(4-methoxyphenyl)methyl]-3-nitro- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
434.235162142 u |
| Formula |
C22H34N4O3S |
| InChI |
InChI=1S/C22H34N4O3S/c1-3-4-5-6-7-8-9-10-11-12-17-30-22-23-21(26(27)28)24-25(22)18-19-13-15-20(29-2)16-14-19/h13-16H,3-12,17-18H2,1-2H3 |
| InChIKey |
OUPKYNHMGDUNOE-UHFFFAOYSA-N |
| Molecular Weight |
434.599 g/mol |
| SMILES |
C=1(N=C(SCCCCCCCCCCCC)N(N1)CC1=CC=C(C=C1)OC)[N+]([O-])=O |
![1H-1,2,4-triazole, 5-(dodecylthio)-1-[(4-methoxyphenyl)methyl]-3-nitro-](/api/spectrum/GtVIEP7oZbK/structure.png?h=300&w=458 "1H-1,2,4-triazole, 5-(dodecylthio)-1-[(4-methoxyphenyl)methyl]-3-nitro-")
