Compound Identification
SMILES
COC1=C(N=C2C=CC(SCC3=CC=CC=N3)=NN12)C1=CC2=C(OCO2)C=C1
InChIKey
InChIKey=APXWIBFVKGRVBM-UHFFFAOYSA-N
Formula
C20H16N4O3S
Mass
392.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Alkylarylthioethers Alkyl aryl ethers Pyridines and derivatives Pyridazines and derivatives N-substituted imidazoles Benzenoids Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Pyridazine - Pyridine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thioether - Ether - Acetal - Sulfenyl compound - Oxacycle - Azacycle - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available