| SpectraBase Spectrum ID |
HpTjXWXHWB5 |
| Name |
1,5-Dimethyl-2-phenyl-4-({(E)-[4-(3-thietanyloxy)phenyl]methylidene}amino)-1,2-dihydro-3H-pyrazol-3-one |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
379.135448100 u |
| Formula |
C21H21N3O2S |
| InChI |
InChI=1S/C21H21N3O2S/c1-15-20(21(25)24(23(15)2)17-6-4-3-5-7-17)22-12-16-8-10-18(11-9-16)26-19-13-27-14-19/h3-12,19H,13-14H2,1-2H3/b22-12+ |
| InChIKey |
RKKITANPVCJCPU-WSDLNYQXSA-N |
| Molecular Weight |
379.478 g/mol |
| SMILES |
C=1(C(N(C2=CC=CC=C2)N(C1C)C)=O)\N=C\C1=CC=C(OC2CSC2)C=C1 |
![1,5-dimethyl-2-phenyl-4-({(E)-[4-(3-thietanyloxy)phenyl]methylidene}amino)-1,2-dihydro-3H-pyrazol-3-one](/api/spectrum/HpTjXWXHWB5/structure.png?h=300&w=458 "1,5-dimethyl-2-phenyl-4-({(E)-[4-(3-thietanyloxy)phenyl]methylidene}amino)-1,2-dihydro-3H-pyrazol-3-one")
