| SpectraBase Spectrum ID |
8Lr8v6GoaxS |
| Name |
1-(4-Chlorophenyl)-2-{[3-(9-decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}ethanone |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
391.148511342 u |
| Formula |
C20H26ClN3OS |
| InChI |
InChI=1S/C20H26ClN3OS/c1-2-3-4-5-6-7-8-9-10-19-22-20(24-23-19)26-15-18(25)16-11-13-17(21)14-12-16/h2,11-14H,1,3-10,15H2,(H,22,23,24) |
| InChIKey |
UZLQNHDXCDYPAP-UHFFFAOYSA-N |
| Molecular Weight |
391.961 g/mol |
| SMILES |
N1N=C(N=C1SCC(C1=CC=C(C=C1)Cl)=O)CCCCCCCCC=C |
![1-(4-chlorophenyl)-2-{[3-(9-decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}ethanone](/api/spectrum/8Lr8v6GoaxS/structure.png?h=300&w=458 "1-(4-chlorophenyl)-2-{[3-(9-decenyl)-1H-1,2,4-triazol-5-yl]sulfanyl}ethanone")
