SpectraBase Spectrum ID |
CeCbsh3K67u |
Name |
4-[[4-(3-Chloro-4-methylphenyl)piperazino]methyl]-2-methylthiozole |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
321.106646530 u |
Formula |
C16H20ClN3S |
InChI |
InChI=1S/C16H20ClN3S/c1-12-3-4-15(9-16(12)17)20-7-5-19(6-8-20)10-14-11-21-13(2)18-14/h3-4,9,11H,5-8,10H2,1-2H3 |
InChIKey |
VTYUQYHEHHSVFD-UHFFFAOYSA-N |
Molecular Weight |
321.870 g/mol |
SMILES |
CC1=CC=C(N2CCN(CC=3N=C(C)SC3)CC2)C=C1Cl |