| SpectraBase Spectrum ID |
BfLBXQwPrtW |
| Name |
Butyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
460.097204042 u |
| Formula |
C21H21ClN4O4S |
| InChI |
InChI=1S/C21H21ClN4O4S/c1-2-3-10-29-20(28)14-4-6-16(7-5-14)24-21(31)25-19(27)18-9-8-17(30-18)13-26-12-15(22)11-23-26/h4-9,11-12H,2-3,10,13H2,1H3,(H2,24,25,27,31) |
| InChIKey |
CAICEVJMRSMKEB-UHFFFAOYSA-N |
| Molecular Weight |
460.936 g/mol |
| SMILES |
N(C(C=1OC(CN2N=CC(=C2)Cl)=CC1)=O)C(NC1=CC=C(C(=O)OCCCC)C=C1)=S |
![butyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate](/api/spectrum/BfLBXQwPrtW/structure.png?h=300&w=458 "butyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate")
