| SpectraBase Spectrum ID |
JPpK0d3crkc |
| Name |
4-[3-Sulfanyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]benzoic acid |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.088891828 u |
| Formula |
C18H17N3O5S |
| InChI |
InChI=1S/C18H17N3O5S/c1-24-13-8-11(9-14(25-2)15(13)26-3)16-19-20-18(27)21(16)12-6-4-10(5-7-12)17(22)23/h4-9H,1-3H3,(H,20,27)(H,22,23) |
| InChIKey |
BDIZPKSQWYVRKR-UHFFFAOYSA-N |
| Molecular Weight |
387.410 g/mol |
| SMILES |
SC1=NN=C(N1C=1C=CC(C(=O)O)=CC1)C1=CC(OC)=C(C(=C1)OC)OC |
![4-[3-sulfanyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]benzoic acid](/api/spectrum/JPpK0d3crkc/structure.png?h=300&w=458 "4-[3-sulfanyl-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazol-4-yl]benzoic acid")
