Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=C(N\N=C(\SC2=NN=NN2C2=CC=CC=C2)C(=O)C2=CC=CC=C2)C=C1

InChIKey

InChIKey=POKHPRPLADBXNI-BSYVCWPDSA-N

Formula

C21H15N7O3S

Mass

445.46

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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 heteromonocyclic compounds

Substituents

Phenyltetrazole - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Benzoyl - Phenylhydrazine - Aryl ketone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketone - C-nitro compound - Organic nitro compound - Hydrazone - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organosulfur compound - Organic salt - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteromonocyclic 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

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