Structure Information
Structure

Compound Identification

SMILES

O[N+]([O-])=O.ClC1=CC(Cl)=C(C=C1)C(CN1C=CN=C1)OCC1=CSC2=C1C=CC=C2Cl

InChIKey

InChIKey=HAAITRDZHUANGT-UHFFFAOYSA-N

Formula

C20H16Cl3N3O4S

Mass

500.78

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzothiophenes

Subclass

1-benzothiophenes

Intermediate Tree Nodes

Not available

Direct Parent

1-benzothiophenes

Alternative Parents

Benzylethers Dichlorobenzenes Aryl chlorides N-substituted imidazoles Thiophenes Heteroaromatic compounds Organic nitrates Organic nitric acids Organic nitro compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic oxides

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1-benzothiophene - Benzylether - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Thiophene - Organic nitrate - Organic nitro compound - Organic nitric acid - Organic nitric acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Ether - Dialkyl ether - Azacycle - Organonitrogen compound - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.

External Descriptors

Not available

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