Compound Identification
SMILES
CN1C=NC(=C1)S(=O)(=O)N(CCN(CC1=CN=CN1C)C1=CC=C(C=C1)C#N)CC(Br)=C
InChIKey
InChIKey=SLBPKEUBXIAUGD-UHFFFAOYSA-N
Formula
C21H24BrN7O2S
Mass
518.43
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
Dialkylarylamines Aniline and substituted anilines Aralkylamines Organosulfonamides N-substituted imidazoles Heteroaromatic compounds Aminosulfonyl compounds Vinyl bromides Nitriles Bromoalkenes Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzonitrile - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Aralkylamine - N-substituted imidazole - Organosulfonic acid amide - Azole - Imidazole - Organic sulfonic acid or derivatives - Heteroaromatic compound - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary amine - Carbonitrile - Nitrile - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Vinyl halide - Vinyl bromide - Organonitrogen compound - Organobromide - Organohalogen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Cyanide - Organic oxide - Amine - 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