| SpectraBase Spectrum ID |
73BuFRKwPc1 |
| Name |
N-(5-Chloro-2-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
416.107374804 u |
| Formula |
C20H21ClN4O2S |
| InChI |
InChI=1S/C20H21ClN4O2S/c1-4-25-19(14-6-5-7-16(10-14)27-3)23-24-20(25)28-12-18(26)22-17-11-15(21)9-8-13(17)2/h5-11H,4,12H2,1-3H3,(H,22,26) |
| InChIKey |
UPAYVBVDMHNQLL-UHFFFAOYSA-N |
| Molecular Weight |
416.927 g/mol |
| SMILES |
N(C1=CC(Cl)=CC=C1C)C(CSC=1N(C(=NN1)C=1C=C(OC)C=CC1)CC)=O |
![N-(5-chloro-2-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/73BuFRKwPc1/structure.png?h=300&w=458 "N-(5-chloro-2-methylphenyl)-2-{[4-ethyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
