Structure Information
Structure

Compound Identification

SMILES

Cl.CCOC(=O)C1=CN(C\C=C2/CN(CCC2SC(C)=O)C(C(=O)C2CC2)C2=CC=CC=C2F)N=C1

InChIKey

InChIKey=JATNLCAKXJESAL-ZIOFAICLSA-N

Formula

C26H31ClFN3O4S

Mass

536.06

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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 - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Piperidine - Benzenoid - Alpha-aminoketone - Heteroaromatic compound - Vinylogous amide - Tertiary aliphatic amine - Thiocarboxylic acid ester - Carbothioic s-ester - Tertiary amine - Amino acid or derivatives - Carboxylic acid ester - Ketone - Thiocarboxylic acid or derivatives - Sulfenyl compound - Carboxylic acid derivative - Azacycle - Organosulfur compound - Amine - Hydrocarbon derivative - Hydrochloride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen 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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