| SpectraBase Spectrum ID |
2Jg5X6k93yU |
| Name |
4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C25H22ClN5O3S |
| InChI |
InChI=1S/C25H22ClN5O3S/c1-34-24(33)17-7-11-20(12-8-17)28-23(32)16-35-25-30-29-22(31(25)21-5-3-2-4-6-21)15-27-19-13-9-18(26)10-14-19/h2-14,27H,15-16H2,1H3,(H,28,32) |
| InChIKey |
PRPUGCAANGDOIV-UHFFFAOYSA-N |
| Molecular Weight |
507.996 g/mol |
| SMILES |
N(Cc1[n](c(SCC(Nc2ccc(C(=O)OC)cc2)=O)nn1)-c1ccccc1)c1ccc(cc1)Cl |
| SPLASH |
splash10-0006-8911010000-019b2f1449bec746fd67 |
| Synonyms |
4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]benzoic acid methyl ester
Methyl 4-[2-[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzoate
Methyl 4-[[2-[[5-[(4-chloroanilino)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate |
| Wiley ID |
1466254 |
![benzoic acid, 4-[[[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester](/api/spectrum/2Jg5X6k93yU/structure.png?h=300&w=458 "benzoic acid, 4-[[[[5-[[(4-chlorophenyl)amino]methyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]amino]-, methyl ester")
