Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C1=CSC(NNC2=NCC(S2)=CC2=CC3=C(OCO3)C=C2)=N1
InChIKey
InChIKey=YBYARWBVEFMVNB-UHFFFAOYSA-N
Formula
C20H15N5O4S2
Mass
453.49
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
Nitrobenzenes Nitroaromatic compounds 2,4-disubstituted thiazoles Thiazolines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Acetals Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Nitrobenzene - Nitroaromatic compound - 2,4-disubstituted 1,3-thiazole - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Meta-thiazoline - C-nitro compound - Organic nitro compound - Oxacycle - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Acetal - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organopnictogen compound - Organooxygen compound - Organic salt - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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