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Structure Information
Structure

Compound Identification

SMILES

CSC1=NC2=C(N=N1)C1=CC=CC=C1NC(O2)C1=CC=C(O1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=POQDMILISXOHOB-UHFFFAOYSA-N

Formula

C21H15ClN4O2S

Mass

422.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Benzoxazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Benzoxazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzoxazepine - Aryl thioether - Meta-oxazepine - Alkylarylthioether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,2,4-triazine - Benzenoid - Triazine - Heteroaromatic compound - Furan - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as benzoxazepines. These are organic compounds containing a benzene fused to an oxazepine ring (a seven-membered ring with four carbon atoms, one oxygen atom, and a nitrogen atom).

External Descriptors

Not available

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