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Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC2=C(C#N)C(N)=C(S2)C(=O)C2=CC3=C(O2)C=CC(Cl)=C3)C=CC(Cl)=C1

InChIKey

InChIKey=NQDRSEQLRQZOHD-UHFFFAOYSA-N

Formula

C21H13Cl2N3O2S

Mass

442.31

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzofurans

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzofurans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzofuran - 3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - Aryl ketone - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Toluene - N-arylated-2-aminothiophene - 2-aminothiophene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Aminothiophene - Heteroaromatic compound - Vinylogous amide - Thiophene - Furan - Ketone - Oxacycle - Secondary amine - Carbonitrile - Nitrile - Organic oxide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Primary amine - Organic oxygen compound - Hydrocarbon derivative - Cyanide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzofurans. These are organic compounds containing a benzene ring fused to a furan. Furan is a five-membered aromatic ring with four carbon atoms and one oxygen atom.

External Descriptors

Not available

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