Compound Identification
SMILES
COC1=C(SCC2=C(C=CC=C2Cl)C2=NCCCN2)C=C(Br)C=C1
InChIKey
InChIKey=DIHXBZVYCWIMIW-UHFFFAOYSA-N
Formula
C18H18BrClN2OS
Mass
425.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenol ethers
- Subclass Anisoles
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Class
Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Anisoles
Intermediate Tree Nodes
Not available
Direct Parent
Anisoles
Alternative Parents
Thiophenol ethers Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Chlorobenzenes Bromobenzenes Imidolactams Hydropyrimidines Aryl bromides Aryl chlorides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Amines Organobromides Organochlorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anisole - Phenoxy compound - Aryl thioether - Thiophenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Alkylarylthioether - Imidolactam - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Thioether - Azacycle - Amidine - Carboxylic acid amidine - Ether - Organoheterocyclic compound - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
External Descriptors
Not available