Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(CSC2=NC3=C(CCCCC3)C=C2C#N)OC(N)=C(C#N)C1C1=C(F)C=CC=C1Cl

InChIKey

InChIKey=ZALPPKPJLANZFR-UHFFFAOYSA-N

Formula

C27H24ClFN4O3S

Mass

539.02

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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 Chlorobenzenes Fluorobenzenes Pyridines and derivatives Pyrans Aryl chlorides Aryl fluorides Vinylogous esters Enoate esters Heteroaromatic compounds Ketene acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Monocarboxylic acids and derivatives Organofluorides Organochlorides Organic oxides Organopnictogen compounds Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aryl thioether - Alkylarylthioether - Halobenzene - Fluorobenzene - Chlorobenzene - Pyridine - Pyran - Benzenoid - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous ester - Ketene acetal or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Sulfenyl compound - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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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