Structure Information
Structure

Compound Identification

SMILES

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

InChIKey

InChIKey=SLBPKEUBXIAUGD-UHFFFAOYSA-N

Formula

C21H24BrN7O2S

Mass

518.43

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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 - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - N-substituted imidazole - Organosulfonic acid amide - Azole - Imidazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organonitrogen compound - Organobromide - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Amine - 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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