| SpectraBase Spectrum ID |
HhuC19C7mYO |
| Name |
Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.109961627 u |
| Formula |
C15H18N4O3S |
| InChI |
InChI=1S/C15H18N4O3S/c1-10(2)22-14(21)11-5-4-6-12(7-11)17-13(20)8-23-15-18-16-9-19(15)3/h4-7,9-10H,8H2,1-3H3,(H,17,20) |
| InChIKey |
XHBKDJWUSJORAM-UHFFFAOYSA-N |
| Molecular Weight |
334.394 g/mol |
| SMILES |
CC(C)OC(C=1C=C(C=CC1)NC(CSC=1N(C=NN1)C)=O)=O |
![Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester](/api/spectrum/HhuC19C7mYO/structure.png?h=300&w=458 "Benzoic acid, 3-[(4-methyl-4H-1,2,4-triazol-3-ylthio)acetylamino]-, isopropyl ester")
