| SpectraBase Spectrum ID |
2Vt6VxptGGf |
| Name |
Benzoic acid, 4-[(E)-[[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
491.081888331 u |
| Formula |
C24H18ClN5O3S |
| InChI |
InChI=1S/C24H18ClN5O3S/c25-19-12-10-17(11-13-19)22-28-29-24(30(22)20-4-2-1-3-5-20)34-15-21(31)27-26-14-16-6-8-18(9-7-16)23(32)33/h1-14H,15H2,(H,27,31)(H,32,33)/b26-14+ |
| InChIKey |
FDPWHSOZKUACQG-VULFUBBASA-N |
| Molecular Weight |
491.953 g/mol |
| SMILES |
N(\N=C\C1=CC=C(C(=O)O)C=C1)C(CSC=1N(C(=NN1)C=1C=CC(=CC1)Cl)C1=CC=CC=C1)=O |
![benzoic acid, 4-[(E)-[[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-](/api/spectrum/2Vt6VxptGGf/structure.png?h=300&w=458 "benzoic acid, 4-[(E)-[[[[5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]acetyl]hydrazono]methyl]-")
