Structure Information
Structure

Compound Identification

SMILES

NC(=O)C1=C(NC(=S)NC(=O)C2=CC(=C(Cl)C=C2)[N+]([O-])=O)SC2=C1CCCC2

InChIKey

InChIKey=RZPJHEMJNGQYST-UHFFFAOYSA-N

Formula

C17H15ClN4O4S2

Mass

438.9

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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

Halobenzoic acids and derivatives

Direct Parent

4-halobenzoic acids and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

4-halobenzoic acid or derivatives - Nitrobenzene - Benzoyl - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Vinylogous amide - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Primary carboxylic acid amide - Carboxamide group - Thiourea - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organic oxoazanium - Organic oxygen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.

External Descriptors

Not available

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