Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C2=NC(=CS2)C2=CC=C(Cl)C=C2)C(=O)C1=NNC1=CC(O)=C(C=C1)C(O)=O

InChIKey

InChIKey=KIWIBCYJDIJEES-UHFFFAOYSA-N

Formula

C20H14ClN5O4S

Mass

455.87

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzoic acids and derivatives

Intermediate Tree Nodes

Hydroxybenzoic acid derivatives - Salicylic acid and derivatives

Direct Parent

Salicylic acids

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Salicylic acid - Benzoic acid - Phenylhydrazine - Benzoyl - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Pyrazolinone - Pyrazoline - Heteroaromatic compound - Azole - Vinylogous acid - Thiazole - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrazone - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as salicylic acids. These are ortho-hydroxylated benzoic acids.

External Descriptors

Not available

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