Structure Information
Structure

Compound Identification

SMILES

C[C@@H](SC1=NN=C(C)N1C1=CC=CC=C1)C(=O)C(C#N)=C1NC2=CC=CC=C2N1

InChIKey

InChIKey=AXVJOSMXFHAWTD-CYBMUJFWSA-N

Formula

C21H18N6OS

Mass

402.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Triazoles

Intermediate Tree Nodes

Phenyltriazoles

Direct Parent

Phenyl-1,2,4-triazoles

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phenyl-1,2,4-triazole - Benzimidazole - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Ketone - Sulfenyl compound - Thioether - Nitrile - Carbonitrile - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Carbonyl group - Cyanide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.

External Descriptors

Not available

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