Structure Information
Structure

Compound Identification

SMILES

CCCC1CCC23OC(=N)C(C#N)(C2C1)C(C#N)(C#N)C(O3)C1=CC=CS1

InChIKey

InChIKey=STMDSIMCNYXMQB-UHFFFAOYSA-N

Formula

C20H20N4O2S

Mass

380.47

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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

Ketals Oxanes Thiophenes Oxolanes Heteroaromatic compounds Imidoesters Oxacyclic compounds Nitriles Organopnictogen compounds Hydrocarbon derivatives

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

1,3-dioxepane - Ketal - Oxane - Oxolane - Thiophene - Heteroaromatic compound - Imido ester - Acetal - Carbonitrile - Nitrile - Oxacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organopnictogen compound - Cyanide - Hydrocarbon derivative - 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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