Compound Identification
SMILES
COC1=CC(C2CC(=O)N3CN(CSC3=C2C#N)C2=CC=C(Br)C=C2)=C(OC)C=C1
InChIKey
InChIKey=YQNSFWYQGZLSON-UHFFFAOYSA-N
Formula
C22H20BrN3O3S
Mass
486.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Methoxybenzenes
- Level 5 Dimethoxybenzenes
-
Subclass
Methoxybenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Methoxybenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Dimethoxybenzenes
Alternative Parents
Phenoxy compounds Aniline and substituted anilines Anisoles Dialkylarylamines Tetrahydropyridines Alkyl aryl ethers Bromobenzenes Thiadiazinanes Aryl bromides Tertiary carboxylic acid amides Lactams Ketene acetals Nitriles Azacyclic compounds Hydrocarbon derivatives Organobromides Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dimethoxybenzene - P-dimethoxybenzene - Phenol ether - Phenoxy compound - Anisole - Dialkylarylamine - Aniline or substituted anilines - Alkyl aryl ether - Tetrahydropyridine - Halobenzene - Bromobenzene - Thiadiazinane - Aryl bromide - Aryl halide - Tertiary carboxylic acid amide - Lactam - Ketene acetal or derivatives - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Carbonitrile - Nitrile - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors
Not available