Compound Identification
SMILES
COC1=CC(OC)=NC(SC(C=O)C2=CC=CC=C2Br)=N1
InChIKey
InChIKey=CMQSGXUJRXPZKR-UHFFFAOYSA-N
Formula
C14H13BrN2O3S
Mass
369.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylacetaldehydes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylacetaldehydes
Intermediate Tree Nodes
Not available
Direct Parent
Phenylacetaldehydes
Alternative Parents
Bromobenzenes Alkylarylthioethers Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Aryl bromides Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylacetaldehyde - Aryl thioether - Alkyl aryl ether - Bromobenzene - Alkylarylthioether - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Aldehyde - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
External Descriptors
Not available