Structure Information
Structure

Compound Identification

SMILES

CN1C=NC(=C1)S(=O)(=O)N(CCN(CC1=CN=CN1C)C1=CC=C(C=C1)C#N)CC1CCOCC1

InChIKey

InChIKey=WXEQXKKSBXXKQJ-UHFFFAOYSA-N

Formula

C24H31N7O3S

Mass

497.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Benzenoids

Class

Benzene and substituted derivatives

Subclass

Benzonitriles

Intermediate Tree Nodes

Not available

Direct Parent

Benzonitriles

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Benzonitrile - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Aralkylamine - N-substituted imidazole - Oxane - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Azole - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Imidazole - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Organic oxide - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.

External Descriptors

Not available

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