Compound Identification
SMILES
COC1=CC(CN2N=C(C3=CC=CS3)C(CC3=CC4=NSN=C4C=C3)=C2OC=O)=CC(OC)=C1OC
InChIKey
InChIKey=UVDHTRXYBBVDJU-UHFFFAOYSA-N
Formula
C25H22N4O5S2
Mass
522.59
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
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Thiophenes Thiadiazoles Pyrazoles Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,1,3-benzothiadiazole - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiophene - Thiadiazole - Pyrazole - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organonitrogen 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