Compound Identification
SMILES
CC1=NNC(=S)N(\N=C\C2=CC3=C(OCO3)C=C2)C1=O
InChIKey
InChIKey=VUTOPTBKDYHHDB-WLRTZDKTSA-N
Formula
C12H10N4O3S
Mass
290.3
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
Triazinethiones Benzenoids 1,2,4-triazines Heteroaromatic compounds Lactams Oxacyclic compounds Azacyclic compounds Acetals Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Triazinethione - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Lactam - Oxacycle - Azacycle - Acetal - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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