Structure Information
Structure

Compound Identification

SMILES

NC1=NC(=O)C2=C(N1)N(CC1=CC=C(C=C1)C#N)C(=O)S2

InChIKey

InChIKey=FIKKPZVCZUBHCY-UHFFFAOYSA-N

Formula

C13H9N5O2S

Mass

299.31

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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 heteropolycyclic compounds

Substituents

Benzonitrile - Aminopyrimidine - Pyrimidone - Pyrimidine - Azole - Thiazole - Vinylogous amide - Heteroaromatic compound - Nitrile - Carbonitrile - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxide - Cyanide - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic 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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