Compound Identification
SMILES
BrC1=CC=C(C=C1)C(=O)C(=CC1=CC=CS1)N1C=CC=CC1=C(C#N)C#N
InChIKey
InChIKey=MWVLBTGDVXEWHB-UHFFFAOYSA-N
Formula
C21H12BrN3OS
Mass
434.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoyl derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoyl derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoyl derivatives
Alternative Parents
Aryl ketones Dihydropyridines Bromobenzenes Alpha-branched alpha,beta-unsaturated ketones Aryl bromides Thiophenes Acryloyl compounds Alpha-amino ketones Heteroaromatic compounds Enones Trialkylamines Allylamines Nitriles Enamines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoyl - Aryl ketone - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - Hydropyridine - Alpha-branched alpha,beta-unsaturated-ketone - Heteroaromatic compound - Alpha,beta-unsaturated ketone - Thiophene - Acryloyl-group - Alpha-aminoketone - Enone - Tertiary aliphatic amine - Tertiary amine - Ketone - Allylamine - Azacycle - Organoheterocyclic compound - Nitrile - Carbonitrile - Enamine - Hydrocarbon derivative - Organic oxide - Amine - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
External Descriptors
Not available