Compound Identification
SMILES
N[C@H](CO)C[C@@H](SC1=C(C=CC(Br)=C1)C#N)C1=CN=CC=C1
InChIKey
InChIKey=BTUSSIMNGXKCMT-GOEBONIOSA-N
Formula
C16H16BrN3OS
Mass
378.29
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzonitriles
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzonitriles
Intermediate Tree Nodes
Not available
Direct Parent
Benzonitriles
Alternative Parents
Thiophenol ethers Bromobenzenes Aralkylamines Alkylarylthioethers Pyridines and derivatives Aryl bromides Heteroaromatic compounds 1,2-aminoalcohols Sulfenyl compounds Nitriles Azacyclic compounds Primary alcohols Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Benzonitrile - Thiophenol ether - Bromobenzene - Aralkylamine - Halobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Pyridine - Heteroaromatic compound - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Primary aliphatic amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organosulfur compound - Primary alcohol - Primary amine - Organic oxygen compound - Cyanide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
External Descriptors
Not available