Compound Identification
SMILES
CCN1C(SCC(=O)[C@@H](C#N)C(C)=N)=NC=C1C1=CC2=C(OCCO2)C=C1
InChIKey
InChIKey=BHZSWVJQXOXDKA-AWEZNQCLSA-N
Formula
C19H20N4O3S
Mass
384.45
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Benzodioxanes
- Subclass Benzo-1,4-dioxanes
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Class
Benzodioxanes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxanes
Subclass
Benzo-1,4-dioxanes
Intermediate Tree Nodes
Not available
Direct Parent
Benzo-1,4-dioxanes
Alternative Parents
1,2,5-trisubstituted imidazoles Alkyl aryl ethers Alkylarylthioethers Para dioxins Benzenoids N-substituted imidazoles Heteroaromatic compounds Ketones Ketimines Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Nitriles Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - 1,2,5-trisubstituted-imidazole - Aryl thioether - Trisubstituted imidazole - Alkyl aryl ether - Alkylarylthioether - N-substituted imidazole - Benzenoid - Para-dioxin - Azole - Imidazole - Heteroaromatic compound - Ketimine - Ketone - Ether - Oxacycle - Azacycle - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organic oxygen compound - Aldehyde - Hydrocarbon derivative - Imine - Organic oxide - Organic nitrogen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzo-1,4-dioxanes. These are heterocyclic compounds containing a benzene ring fused to a 1,4-dioxane ring.
External Descriptors
Not available