Structure Information
Structure

Compound Identification

SMILES

COC(=O)C1=C(N2C(=O)NCC3=C2C=CC(SC2=CC=C(F)C=C2)=N3)C(Cl)=CC=C1

InChIKey

InChIKey=ZHSDXUUEKUTZFL-UHFFFAOYSA-N

Formula

C21H15ClFN3O3S

Mass

443.88

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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

Diarylthioethers

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Diarylthioether - Pyridopyrimidine - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Thiophenol ether - Benzoyl - Fluorobenzene - Halobenzene - Chlorobenzene - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Aryl halide - Aryl fluoride - Pyrimidine - Pyridine - Aryl chloride - Heteroaromatic compound - Vinylogous amide - Methyl ester - Tertiary amine - Urea - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Carboxylic acid derivative - Organonitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organofluoride - Aromatic heteropolycyclic compound

Description

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

External Descriptors

Not available

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