| SpectraBase Spectrum ID |
2bzrgPZ6LXL |
| Name |
4-[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)methyl]benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.073910470 u |
| Formula |
C16H13N5O3S |
| InChI |
InChI=1S/C16H13N5O3S/c17-14(22)11-5-7-13(8-6-11)21-16(18-19-20-21)25-9-10-1-3-12(4-2-10)15(23)24/h1-8H,9H2,(H2,17,22)(H,23,24) |
| InChIKey |
QBPFMFRNLVTZFL-UHFFFAOYSA-N |
| Molecular Weight |
355.372 g/mol |
| SMILES |
OC(C=1C=CC(CSC=2N(C3=CC=C(C(=O)N)C=C3)N=NN2)=CC1)=O |
![4-[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)methyl]benzoic acid](/api/spectrum/2bzrgPZ6LXL/structure.png?h=300&w=458 "4-[({1-[4-(aminocarbonyl)phenyl]-1H-tetraazol-5-yl}sulfanyl)methyl]benzoic acid")
