Compound Identification
SMILES
CC1=C(C)C=C(C=C1)C1(O)OC(=O)C(=C1CC1=CC=CC=C1)C1=CC2=NSN=C2C=C1
InChIKey
InChIKey=AJORUOGPDOEFEG-UHFFFAOYSA-N
Formula
C25H20N2O3S
Mass
428.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiadiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiadiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiadiazoles
Alternative Parents
o-Xylenes Butenolides Thiadiazoles Heteroaromatic compounds Enoate esters Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - O-xylene - Xylene - Monocyclic benzene moiety - 2-furanone - Benzenoid - Azole - Dihydrofuran - Heteroaromatic compound - Thiadiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Hemiacetal - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiadiazoles. These are heterocyclic aromatic compounds containing a benzene ring fused to a thiadiazole ring. Thiadiazole is a five-membered aromatic heterocycle made up of one sulfur atom and two nitrogen atoms.
External Descriptors
Not available