Compound Identification
SMILES
CC1=CC=CC=C1COC1=C(Br)C=C(C=C2C(=N)N3N=C(SC3=NC2=O)C2=CN=CC=C2)C=C1
InChIKey
InChIKey=WDSDSQHGYHACQO-UHFFFAOYSA-N
Formula
C25H18BrN5O2S
Mass
532.42
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Phenol ethers
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenol ethers
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenol ethers
Alternative Parents
Phenoxy compounds Toluenes Pyrimidones Alkyl aryl ethers Bromobenzenes Pyridines and derivatives Aryl bromides Imidolactams Hydropyrimidines Thiadiazolines Heteroaromatic compounds N-acylimines Propargyl-type 1,3-dipolar organic compounds Amidines Azacyclic compounds Carboxylic acids and derivatives Organic oxides Carbonyl compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Halobenzene - Bromobenzene - Aryl bromide - Pyridine - Pyrimidine - Imidolactam - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Monocyclic benzene moiety - Aryl halide - Thiadiazoline - Heteroaromatic compound - N-acylimine - Amidine - Azacycle - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenol ethers. These are aromatic compounds containing an ether group substituted with a benzene ring.
External Descriptors
Not available