| SpectraBase Spectrum ID |
6Onmxbd5Ude |
| Name |
Isopropyl {[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.096475768 u |
| Formula |
C20H20ClN3O2S |
| InChI |
InChI=1S/C20H20ClN3O2S/c1-13(2)26-18(25)12-27-20-23-22-19(15-6-4-5-14(3)11-15)24(20)17-9-7-16(21)8-10-17/h4-11,13H,12H2,1-3H3 |
| InChIKey |
JKVQUTOJMACAQX-UHFFFAOYSA-N |
| Molecular Weight |
401.912 g/mol |
| SMILES |
CC(OC(CSC=1N(C(=NN1)C=1C=C(C)C=CC1)C=1C=CC(=CC1)Cl)=O)C |
![isopropyl {[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate](/api/spectrum/6Onmxbd5Ude/structure.png?h=300&w=458 "isopropyl {[4-(4-chlorophenyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate")
