| SpectraBase Spectrum ID |
G7F25VkvqFL |
| Name |
Benzoic acid, 4-[[[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
471.136510727 u |
| Formula |
C25H21N5O3S |
| InChI |
InChI=1S/C25H21N5O3S/c31-22(27-19-8-5-18(6-9-19)24(32)33)15-34-25-29-28-23(17-11-13-26-14-12-17)30(25)21-10-7-16-3-1-2-4-20(16)21/h1-6,8-9,11-14,21H,7,10,15H2,(H,27,31)(H,32,33) |
| InChIKey |
OQHKZVDRHVQLDC-UHFFFAOYSA-N |
| Molecular Weight |
471.535 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C1=CC=NC=C1)C1C2=C(C=CC=C2)CC1)=O)C1=CC=C(C(=O)O)C=C1 |
![benzoic acid, 4-[[[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-](/api/spectrum/G7F25VkvqFL/structure.png?h=300&w=458 "benzoic acid, 4-[[[[4-(2,3-dihydro-1H-inden-1-yl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-")
