Structure Information
Structure

Compound Identification

SMILES

CN1C(=O)N(C)C2=C(C1=O)C(SCC([O-])=O)=NC(=N2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=CHJNYIXWCXODTD-UHFFFAOYSA-M

Formula

C16H12ClN4O4S

Mass

391.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organosulfur compounds

Class

Thioethers

Subclass

Aryl thioethers

Intermediate Tree Nodes

Not available

Direct Parent

Aryl thioethers

Alternative Parents

Alkylarylthioethers Pyrimidones Chlorobenzenes Vinylogous thioesters Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Carboxylic acid salts Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous thioester - Heteroaromatic compound - Vinylogous amide - Urea - Carboxylic acid salt - Lactam - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic anion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.

External Descriptors

Not available

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