| SpectraBase Spectrum ID |
JH47B85mBDa |
| Name |
N-(4-Methylbenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-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 |
415.146681489 u |
| Formula |
C23H21N5OS |
| InChI |
InChI=1S/C23H21N5OS/c1-17-9-11-18(12-10-17)14-25-21(29)16-30-23-27-26-22(19-6-5-13-24-15-19)28(23)20-7-3-2-4-8-20/h2-13,15H,14,16H2,1H3,(H,25,29) |
| InChIKey |
AMLKRLKLPZDZHC-UHFFFAOYSA-N |
| Molecular Weight |
415.515 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C1=CN=CC=C1)C1=CC=CC=C1)=O)CC=1C=CC(=CC1)C |
![N-(4-methylbenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide](/api/spectrum/JH47B85mBDa/structure.png?h=300&w=458 "N-(4-methylbenzyl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide")
