Compound Identification
SMILES
CCOC(=O)C1=C(N(C)N=C1)S(=O)(=O)N=C(NN=CC1=CC=CC=C1Cl)NC1=NC(C)=CC(OC)=N1
InChIKey
InChIKey=JBLBLDZZGXWUTJ-UHFFFAOYSA-N
Formula
C21H23ClN8O5S
Mass
534.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Pyrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Pyrazole carboxylic acids and derivatives
Alternative Parents
Chlorobenzenes Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous amides Sulfonyls Organosulfonic acids and derivatives Heteroaromatic compounds Guanidines Carboxylic acid esters Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrazole-4-carboxylic acid or derivatives - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Carboxylic acid ester - Guanidine - Azacycle - Carboxylic acid derivative - Ether - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organic oxygen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrazole carboxylic acids and derivatives. These are heterocyclic compounds containing a pyrazole ring in which a hydrogen atom is replaced by a carboxylic acid group.
External Descriptors
Not available