Compound Identification
SMILES
CCOC1=C(OC)C=C(C=C2SC(NC3=CC(C)=CC(C)=C3)=NC2=O)C=C1Br
InChIKey
InChIKey=ATTKYNJNNJUAJR-UHFFFAOYSA-N
Formula
C21H21BrN2O3S
Mass
461.37
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
m-Xylenes Phenoxy compounds Aniline and substituted anilines Methoxybenzenes Alkyl aryl ethers Bromobenzenes Aryl bromides Thiazolines N-acylimines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids and derivatives Amines Organic oxides Hydrocarbon derivatives Carbonyl compounds Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - M-xylene - Xylene - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Meta-thiazoline - N-acylimine - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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