| SpectraBase Spectrum ID |
HHxPiai8UFS |
| Name |
Methyl 2-{[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.095374189 u |
| Formula |
C18H16N6O4S |
| InChI |
InChI=1S/C18H16N6O4S/c1-28-17(27)13-4-2-3-5-14(13)20-15(25)10-29-18-21-22-23-24(18)12-8-6-11(7-9-12)16(19)26/h2-9H,10H2,1H3,(H2,19,26)(H,20,25) |
| InChIKey |
XYJZXWZYUHBYLT-UHFFFAOYSA-N |
| Molecular Weight |
412.424 g/mol |
| SMILES |
N(C1=C(C(=O)OC)C=CC=C1)C(CSC=1N(C2=CC=C(C(=O)N)C=C2)N=NN1)=O |
![methyl 2-{[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate](/api/spectrum/HHxPiai8UFS/structure.png?h=300&w=458 "methyl 2-{[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)acetyl]amino}benzoate")
