Structure Information
Structure

Compound Identification

SMILES

ClC1=CC=C(C=C1)C(=O)SC1=C(C(=O)N(C(=S)N1C1=CC=CC=C1)C1=CC=CC=C1)C1=CC=CC=C1

InChIKey

InChIKey=SITUQQOMTQNTHB-UHFFFAOYSA-N

Formula

C29H19ClN2O2S2

Mass

527.05

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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 heteromonocyclic compounds

Substituents

4-halobenzoic acid or derivatives - Thiobenzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrimidone - Pyrimidinethione - Halobenzene - Chlorobenzene - Pyrimidine - Aryl halide - Aryl chloride - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Lactam - Carbothioic s-ester - Thiocarboxylic acid ester - Thiourea - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Aromatic heteromonocyclic 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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