Structure Information
Structure

Compound Identification

SMILES

CC1C2(OC(=N)C1(C#N)C(C#N)(C#N)C(O2)C1=CC=C(C)S1)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=RSCHOBUXHLXJMN-UHFFFAOYSA-N

Formula

C21H15ClN4O2S

Mass

422.89

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Dioxepanes

Subclass

1,3-dioxepanes

Intermediate Tree Nodes

Not available

Direct Parent

1,3-dioxepanes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-dioxepane - Ketal - Chlorobenzene - Halobenzene - 2,5-disubstituted thiophene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Oxane - Benzenoid - Heteroaromatic compound - Oxolane - Thiophene - Imido ester - Nitrile - Carbonitrile - Oxacycle - Acetal - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Cyanide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 1,3-dioxepanes. These are dioxepanes with the two ring oxygen atoms at position 1 and 3, respectively.

External Descriptors

Not available

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