Structure Information
Structure

Compound Identification

SMILES

N[C@H](CO)C[C@@H](SC1=C(C=CC(Br)=C1)C#N)C1=CN=CC=C1

InChIKey

InChIKey=BTUSSIMNGXKCMT-GOEBONIOSA-N

Formula

C16H16BrN3OS

Mass

378.29

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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

Aryl thioether - Benzonitrile - Thiophenol ether - Bromobenzene - Aralkylamine - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Organic oxygen compound - Cyanide - 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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