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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazanaphthalenes
-
Subclass
Benzodiazines
- Level 5 Phthalazines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Phthalazines
Alternative Parents
Aminopyridazines Primary aromatic amines Benzene and substituted derivatives Vinylogous amides Thiophenes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
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