Compound Identification
SMILES
CC(C)C(C)(NC(=O)CSC1=NN=C(O1)C1=CC2=C(OCO2)C=C1)C#N
InChIKey
InChIKey=XQMKXYIKZCJXHB-UHFFFAOYSA-N
Formula
C17H18N4O4S
Mass
374.42
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 Benzenoids Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Sulfenyl compounds Oxacyclic compounds Nitriles Azacyclic compounds Acetals Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Aryl thioether - Alkylarylthioether - Benzenoid - 1,3,4-oxadiazole - Azole - Oxadiazole - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Acetal - Carboxylic acid derivative - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Cyanide - Organic nitrogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - 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