Structure Information
Structure

Compound Identification

SMILES

NC1=NN=C(CC(=O)NN=CC2=CC=C(C=C2)C#N)S1

InChIKey

InChIKey=CMWCLBFRGWTTKB-UHFFFAOYSA-N

Formula

C12H10N6OS

Mass

286.31

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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 heteromonocyclic compounds

Substituents

Benzonitrile - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Azole - Thiadiazole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid derivative - Carbonitrile - Nitrile - Organoheterocyclic compound - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Carbonyl group - Organic oxide - Organooxygen compound - Primary amine - Hydrocarbon derivative - 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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