Structure Information
Structure

Compound Identification

SMILES

CC1=C(NC(=O)CSC2=NN=NN2C2=CC=C(Br)C=C2)C=C(C=C1)[N+]([O-])=O

InChIKey

InChIKey=MHZOFUDMGRFHJY-UHFFFAOYSA-N

Formula

C16H13BrN6O3S

Mass

449.28

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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 - Anilide - Nitrotoluene - Aryl thioether - Nitroaromatic compound - N-arylamide - Bromobenzene - Halobenzene - Alkylarylthioether - Toluene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Benzenoid - Heteroaromatic compound - Organic nitro compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Thioether - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboxylic acid derivative - Organic oxoazanium - Organic nitrogen compound - Organobromide - Organohalogen compound - Organic oxygen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - Organic zwitterion - 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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