| SpectraBase Spectrum ID |
9rlydoYrxIG |
| Name |
(4-Chloro-benzylsulfanyl)-acetic acid (5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-ylmethylene)-hydrazide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
414.091724740 u |
| Formula |
C20H19ClN4O2S |
| InChI |
InChI=1S/C20H19ClN4O2S/c1-14-18(20(27)25(24-14)17-5-3-2-4-6-17)11-22-23-19(26)13-28-12-15-7-9-16(21)10-8-15/h2-11,27H,12-13H2,1H3,(H,23,26)/b22-11+ |
| InChIKey |
PPFGQEJPTGAANS-SSDVNMTOSA-N |
| Molecular Weight |
414.911 g/mol |
| SMILES |
C1=CC=C(N2C(=C(\C=N\NC(=O)CSCC=3C=CC(=CC3)Cl)C(=N2)C)O)C=C1 |
