Compound Identification
SMILES
O[N+]([O-])=O.ClC1=CC=C(SCCCOC(CN2C=CN=C2)C2=C(Cl)C=C(Cl)C=C2)C=C1
InChIKey
InChIKey=ILERVTWMPFBBRI-UHFFFAOYSA-N
Formula
C20H20Cl3N3O4S
Mass
504.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzylethers
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzylethers
Intermediate Tree Nodes
Not available
Direct Parent
Benzylethers
Alternative Parents
Thiophenol ethers Dichlorobenzenes Alkylarylthioethers Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Organic nitrates Organic nitric acids Organic nitro compounds Sulfenyl compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic salts Hydrocarbon derivatives Organochlorides Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzylether - Aryl thioether - 1,3-dichlorobenzene - Thiophenol ether - Halobenzene - Alkylarylthioether - Chlorobenzene - Aryl chloride - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Organic nitrate - Organic nitric acid or derivatives - Organic nitric acid - Organic nitro compound - Thioether - Ether - Sulfenyl compound - Dialkyl ether - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzylethers. These are aromatic ethers with the general formula ROCR' (R = alkyl, aryl; R'=benzene).
External Descriptors
Not available