Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=NN(C(N)=C2C(=O)C(C#N)=C(C=C12)C1=CC=CS1)C1=CC=CC=C1

InChIKey

InChIKey=FITOEUZJPJCHDW-UHFFFAOYSA-N

Formula

C22H16N4O3S

Mass

416.46

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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 - Aminopyridazine - Monocyclic benzene moiety - Primary aromatic amine - Pyridazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonitrile - Nitrile - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Cyanide - Amine - Organooxygen compound - Organic oxide - Primary amine - Hydrocarbon derivative - Organopnictogen compound - 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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