| SpectraBase Spectrum ID |
EdTrbQYe0u |
| Name |
2-{[4-Cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-phenylethylidene]acetohydrazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
447.209281747 u |
| Formula |
C25H29N5OS |
| InChI |
InChI=1S/C25H29N5OS/c1-18-13-15-21(16-14-18)24-28-29-25(30(24)22-11-7-4-8-12-22)32-17-23(31)27-26-19(2)20-9-5-3-6-10-20/h3,5-6,9-10,13-16,22H,4,7-8,11-12,17H2,1-2H3,(H,27,31)/b26-19+ |
| InChIKey |
PKXYATRZWIJTAA-LGUFXXKBSA-N |
| Molecular Weight |
447.601 g/mol |
| SMILES |
N(\N=C\(C=1C=CC=CC1)C)C(CSC=1N(C(=NN1)C1=CC=C(C=C1)C)C1CCCCC1)=O |
![2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-phenylethylidene]acetohydrazide](/api/spectrum/EdTrbQYe0u/structure.png?h=300&w=458 "2-{[4-cyclohexyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-1-phenylethylidene]acetohydrazide")
