Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.ClC1=CC=C(SCCCOC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1

InChIKey

InChIKey=ILERVTWMPFBBRI-UHFFFAOYSA-N

Formula

C20H20Cl3N3O4S

Mass

504.81

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzylethers

Intermediate Tree Nodes

Not available

Direct Parent

Benzylethers

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzylether - Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic nitrate - Organic nitric acid or derivatives - Organic nitric acid - Organic nitro compound - Thioether - Ether - Sulfenyl compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).

External Descriptors

Not available

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