Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Pyrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazole carboxylic acids and derivatives

Alternative Parents

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

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