| SpectraBase Spectrum ID |
6TuNgDb6xGS |
| Name |
4-[3-(propan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid |
| Alternate Name(s) |
4-(3-propan-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)benzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13N3O2S |
| InChI |
InChI=1S/C12H13N3O2S/c1-7(2)10-13-14-12(18)15(10)9-5-3-8(4-6-9)11(16)17/h3-7H,1-2H3,(H,14,18)(H,16,17) |
| InChIKey |
BLNKIBRFTXWAFL-UHFFFAOYSA-N |
| Molecular Weight |
263.315 g/mol |
| SMILES |
Sc1nnc([n]1-c1ccc(C(O)=O)cc1)C(C)C |
| SPLASH |
splash10-01p7-9410000000-f77098f27a3f4f59e482 |
| Source of Spectrum |
IY-2-5112-0 |
| Wiley ID |
1659103 |
![4-[3-(propan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid](/api/spectrum/6TuNgDb6xGS/structure.png?h=300&w=458 "4-[3-(propan-2-yl)-5-sulfanyl-4H-1,2,4-triazol-4-yl]benzoic acid")
