| SpectraBase Spectrum ID |
9SZ61prXNTV |
| Name |
Methyl 2-[(3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoyl)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.071133764 u |
| Formula |
C19H17N3O3S2 |
| InChI |
InChI=1S/C19H17N3O3S2/c1-12-21-22-19(27-12)26-11-13-6-5-7-14(10-13)17(23)20-16-9-4-3-8-15(16)18(24)25-2/h3-10H,11H2,1-2H3,(H,20,23) |
| InChIKey |
NGZGXMGMMIEDAP-UHFFFAOYSA-N |
| Molecular Weight |
399.483 g/mol |
| SMILES |
N(C(C1=CC(CSC=2SC(=NN2)C)=CC=C1)=O)C=1C(C(=O)OC)=CC=CC1 |
![Methyl 2-[(3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoyl)amino]benzoate](/api/spectrum/9SZ61prXNTV/structure.png?h=300&w=458 "Methyl 2-[(3-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}benzoyl)amino]benzoate")
