| SpectraBase Spectrum ID |
DvXRjKO8E9M |
| Name |
1-(2-Aminophenyl)-5-[[4-(methylcarbamoyl)-5-thiadiazolyl]thio]-4-triazolecarboxylic acid ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
405.067779716 u |
| Formula |
C15H15N7O3S2 |
| InChI |
InChI=1S/C15H15N7O3S2/c1-3-25-14(24)11-13(26-15-10(12(23)17-2)19-21-27-15)22(20-18-11)9-7-5-4-6-8(9)16/h4-7H,3,16H2,1-2H3,(H,17,23) |
| InChIKey |
OOHYQRJPJJOLHU-UHFFFAOYSA-N |
| Molecular Weight |
405.451 g/mol |
| SMILES |
C=1(N(N=NC1C(=O)OCC)C1=C(N)C=CC=C1)SC1=C(N=NS1)C(=O)NC |
![1-(2-Aminophenyl)-5-[[4-(methylcarbamoyl)-5-thiadiazolyl]thio]-4-triazolecarboxylic acid ethyl ester](/api/spectrum/DvXRjKO8E9M/structure.png?h=300&w=458 "1-(2-Aminophenyl)-5-[[4-(methylcarbamoyl)-5-thiadiazolyl]thio]-4-triazolecarboxylic acid ethyl ester")
