Compound Identification
SMILES
CC(=O)C1=C(C)N=C(SCCOC2=CC(Br)=CC=C2)C(=C1)C#N
InChIKey
InChIKey=LTFLXEPBMWZFLH-UHFFFAOYSA-N
Formula
C17H15BrN2O2S
Mass
391.28
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 Aryl alkyl ketones 3-pyridinecarbonitriles Methylpyridines Bromobenzenes Alkylarylthioethers Alkyl aryl ethers Aryl bromides Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Aryl thioether - 3-pyridinecarbonitrile - Phenol ether - Aryl alkyl ketone - Aryl ketone - Alkyl aryl ether - Methylpyridine - Bromobenzene - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Ketone - Sulfenyl compound - Organoheterocyclic compound - Thioether - Ether - Azacycle - Carbonitrile - Nitrile - Organosulfur compound - Organohalogen compound - Organobromide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Aromatic heteromonocyclic 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