SpectraBase Spectrum ID |
SxMtuhmE3z |
Name |
Pyrano[2,3-C]pyrazol-6(1H)-one, 1-(6-chloro-2-benzothiazolyl)-3,4-dimethyl- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.018225446 u |
Formula |
C15H10ClN3O2S |
InChI |
InChI=1S/C15H10ClN3O2S/c1-7-5-12(20)21-14-13(7)8(2)18-19(14)15-17-10-4-3-9(16)6-11(10)22-15/h3-6H,1-2H3 |
InChIKey |
PIWVTGHFUHXSDY-UHFFFAOYSA-N |
Molecular Weight |
331.777 g/mol |
SMILES |
C1=2N(N=C(C2C(C)=CC(O1)=O)C)C1=NC2=CC=C(C=C2S1)Cl |