Structure Information
Structure

Compound Identification

SMILES

C[C@@H](SC1=NN=NN1C1=C(C)C=C(C)C=C1)C(=O)C(C#N)=C1NC2=CC=CC=C2N1

InChIKey

InChIKey=HNLJJYQELXUOPJ-CQSZACIVSA-N

Formula

C21H19N7OS

Mass

417.49

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Azoles

Subclass

Tetrazoles

Intermediate Tree Nodes

Not available

Direct Parent

Phenyltetrazoles and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

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

Description

This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.

External Descriptors

Not available

Previous Back Next