SpectraBase Spectrum ID |
BmYnX2pGLKq |
Name |
3(2H)-Pyridazinone, 4-chloro-2-(1,1-dimethylethyl)-5-[[[3-(1,1-dimethylethyl)-5-isoxazolyl]methyl]thio]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
355.112125832 u |
Formula |
C16H22ClN3O2S |
InChI |
InChI=1S/C16H22ClN3O2S/c1-15(2,3)12-7-10(22-19-12)9-23-11-8-18-20(16(4,5)6)14(21)13(11)17/h7-8H,9H2,1-6H3 |
InChIKey |
OVAZEQZUJJSMJC-UHFFFAOYSA-N |
Molecular Weight |
355.884 g/mol |
SMILES |
C=1C(=C(C(N(N1)C(C)(C)C)=O)Cl)SCC=1ON=C(C1)C(C)(C)C |