| SpectraBase Spectrum ID |
5uJA01klOv6 |
| Name |
Butyl 4-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.102289423 u |
| Formula |
C18H21ClN4O3S |
| InChI |
InChI=1S/C18H21ClN4O3S/c1-4-5-10-26-17(25)12-6-8-13(9-7-12)20-18(27)21-16(24)15-14(19)11(2)22-23(15)3/h6-9H,4-5,10H2,1-3H3,(H2,20,21,24,27) |
| InChIKey |
HHGCACHXRAJBEX-UHFFFAOYSA-N |
| Molecular Weight |
408.904 g/mol |
| SMILES |
N(C(C=1N(N=C(C1Cl)C)C)=O)C(NC=1C=CC(C(=O)OCCCC)=CC1)=S |
![butyl 4-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate](/api/spectrum/5uJA01klOv6/structure.png?h=300&w=458 "butyl 4-[({[(4-chloro-1,3-dimethyl-1H-pyrazol-5-yl)carbonyl]amino}carbothioyl)amino]benzoate")
