Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C(\CSC(=O)C1=CC=CC=C1)=C1/NCCN1CC1=CN=C(Cl)C=C1

InChIKey

InChIKey=TWDUSTVZJYMPCZ-BMRADRMJSA-N

Formula

C18H17ClN4O3S

Mass

404.87

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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

Not available

Direct Parent

Benzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Benzoyl - 2-halopyridine - Aryl chloride - Aryl halide - Pyridine - Heteroaromatic compound - Imidazolidine - C-nitro compound - Organic nitro compound - Thiocarboxylic acid ester - Carbothioic s-ester - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Sulfenyl compound - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Thiocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic oxygen compound - Organonitrogen compound - Organochloride - Organooxygen compound - Organohalogen compound - Amine - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzoic acids and derivatives. These are organic compounds containing a carboxylic acid substituent attached to a benzene ring.

External Descriptors

Not available

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