| SpectraBase Spectrum ID |
I8nu1R5hTjf |
| Name |
Methyl 4-[({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
512.047667027 u |
| Formula |
C24H18Cl2N4O3S |
| InChI |
InChI=1S/C24H18Cl2N4O3S/c1-33-23(32)15-6-10-17(11-7-15)27-21(31)14-34-24-29-28-22(19-4-2-3-5-20(19)26)30(24)18-12-8-16(25)9-13-18/h2-13H,14H2,1H3,(H,27,31) |
| InChIKey |
OJRVTOAXXCBPGI-UHFFFAOYSA-N |
| Molecular Weight |
513.399 g/mol |
| SMILES |
N(C(CSC=1N(C(=NN1)C=1C(Cl)=CC=CC1)C1=CC=C(C=C1)Cl)=O)C=1C=CC(C(=O)OC)=CC1 |
![methyl 4-[({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate](/api/spectrum/I8nu1R5hTjf/structure.png?h=300&w=458 "methyl 4-[({[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate")
