Compound Identification
SMILES
CCC1=NN=C(NC(=O)[C@@H]2COC3=CC=CC=C3O2)S1
InChIKey
InChIKey=XFGZKGIFXJHZGU-JTQLQIEISA-N
Formula
C13H13N3O3S
Mass
291.33
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
N-arylamides Alkyl aryl ethers Para dioxins Benzenoids Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzo-1,4-dioxane - N-arylamide - Alkyl aryl ether - Para-dioxin - Benzenoid - Azole - Thiadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - 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