Structure Information
Structure

Compound Identification

SMILES

CCC1=C(C(SC)=NO1)C1=CC(NC2=CC=CC(=C2)C#N)=NC=C1

InChIKey

InChIKey=WSOINEHFFQZYCQ-UHFFFAOYSA-N

Formula

C18H16N4OS

Mass

336.41

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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 - Aniline or substituted anilines - Aminopyridine - Alkylarylthioether - Pyridine - Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Carbonitrile - Nitrile - Oxacycle - Secondary amine - Thioether - Sulfenyl compound - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Hydrocarbon derivative - Amine - Organic nitrogen compound - 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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