| SpectraBase Spectrum ID |
mavA3rP9FF |
| Name |
Methyl 2-({[(5-ethyl-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 |
320.094311562 u |
| Formula |
C14H16N4O3S |
| InChI |
InChI=1S/C14H16N4O3S/c1-3-11-16-14(18-17-11)22-8-12(19)15-10-7-5-4-6-9(10)13(20)21-2/h4-7H,3,8H2,1-2H3,(H,15,19)(H,16,17,18) |
| InChIKey |
OWQFQTJYNDPNSW-UHFFFAOYSA-N |
| Molecular Weight |
320.367 g/mol |
| SMILES |
N(C1=C(C(=O)OC)C=CC=C1)C(CSC=1NC(=NN1)CC)=O |
![methyl 2-({[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate](/api/spectrum/mavA3rP9FF/structure.png?h=300&w=458 "methyl 2-({[(5-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate")
