| SpectraBase Spectrum ID |
2rDhSkjTQ54 |
| Name |
Methyl 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 |
418.050253849 u |
| Formula |
C18H15ClN4O4S |
| InChI |
InChI=1S/C18H15ClN4O4S/c1-26-17(25)11-2-4-13(5-3-11)21-18(28)22-16(24)15-7-6-14(27-15)10-23-9-12(19)8-20-23/h2-9H,10H2,1H3,(H2,21,22,24,28) |
| InChIKey |
RYONVRREDPQVDE-UHFFFAOYSA-N |
| Molecular Weight |
418.855 g/mol |
| SMILES |
N(C(NC(C=1OC(CN2N=CC(=C2)Cl)=CC1)=O)=S)C1=CC=C(C(=O)OC)C=C1 |
![methyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate](/api/spectrum/2rDhSkjTQ54/structure.png?h=300&w=458 "methyl 4-{[({5-[(4-chloro-1H-pyrazol-1-yl)methyl]-2-furoyl}amino)carbothioyl]amino}benzoate")
