Structure Information
Structure

Compound Identification

SMILES

FC1=CC=CC=C1CN1C=CC(=N1)C(=O)NN=CC1=CC=C(OC(=O)C2=C(Cl)C3=CC=CC=C3S2)C=C1

InChIKey

InChIKey=ZZVJKQNJVNJYTB-UHFFFAOYSA-N

Formula

C27H18ClFN4O3S

Mass

532.97

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Phenol esters

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Phenol esters

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenol ester - 1-benzothiophene - Benzothiophene - Phenoxy compound - Pyrazole-5-carboxamide - Thiophene carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Azole - Pyrazole - Thiophene - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenol esters. These are aromatic compounds containing a benzene ring substituted by a hydroxyl group and an ester group.

External Descriptors

Not available

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