| SpectraBase Spectrum ID |
Irnbwvy4ML3 |
| Name |
Methyl 4-{(E)-[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
539.058566063 u |
| Formula |
C25H19Cl2N5O3S |
| InChI |
InChI=1S/C25H19Cl2N5O3S/c1-35-24(34)18-4-2-16(3-5-18)14-28-29-22(33)15-36-25-31-30-23(17-6-8-19(26)9-7-17)32(25)21-12-10-20(27)11-13-21/h2-14H,15H2,1H3,(H,29,33)/b28-14+ |
| InChIKey |
HDZJWRRHWAEVME-CCVNUDIWSA-N |
| Molecular Weight |
540.425 g/mol |
| SMILES |
N(\N=C\C1=CC=C(C(=O)OC)C=C1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=C(C=C1)Cl)=O |
![methyl 4-{(E)-[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate](/api/spectrum/Irnbwvy4ML3/structure.png?h=300&w=458 "methyl 4-{(E)-[({[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazono]methyl}benzoate")
