Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C2=CC=CC=C2)[C@@]2(SC(=NN2C2=CC=C(Br)C=C2)C(=O)C2=CC=CC=C2)C2=CC=CC=C12

InChIKey

InChIKey=XBLZWFGEHVFNFQ-LJAQVGFWSA-N

Formula

C29H21BrN4OS

Mass

553.48

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazanaphthalenes

Subclass

Benzodiazines

Intermediate Tree Nodes

Not available

Direct Parent

Phthalazines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Phthalazine - Benzoyl - Aryl ketone - Bromobenzene - Halobenzene - Benzenoid - Aryl halide - Monocyclic benzene moiety - Aryl bromide - Thiadiazoline - Ketone - Azacycle - Hydrazone - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as phthalazines. These are compounds containing a phthalazine moiety, which consists of a benzene ring fused to a pyridazine, forming a 2,3-benzodiazine skeleton.

External Descriptors

Not available

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