| SpectraBase Spectrum ID |
HIP7MQAZy0a |
| Name |
Methyl 4-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.120860663 u |
| Formula |
C19H19N5O3S |
| InChI |
InChI=1S/C19H19N5O3S/c1-24-17(13-4-3-5-14(20)10-13)22-23-19(24)28-11-16(25)21-15-8-6-12(7-9-15)18(26)27-2/h3-10H,11,20H2,1-2H3,(H,21,25) |
| InChIKey |
GGERSNJDFSPKEO-UHFFFAOYSA-N |
| Molecular Weight |
397.453 g/mol |
| SMILES |
N(C(CSC=1N(C(C=2C=C(C=CC2)N)=NN1)C)=O)C=1C=CC(C(=O)OC)=CC1 |
![methyl 4-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate](/api/spectrum/HIP7MQAZy0a/structure.png?h=300&w=458 "methyl 4-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate")
