Compound Identification
SMILES
BrC1=CC=CC(NC2=C3SC4=C(C=CC=C4NC(=O)C=C)C3=NC=C2C#N)=C1
InChIKey
InChIKey=OGMDXVPLRXSYBO-UHFFFAOYSA-N
Formula
C21H13BrN4OS
Mass
449.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
N-arylamides Aniline and substituted anilines Aminopyridines and derivatives Bromobenzenes Primary aromatic amines Aryl bromides Thiophenes Acrylic acids and derivatives Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - N-arylamide - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aminopyridine - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl bromide - Primary aromatic amine - Pyridine - Heteroaromatic compound - Acrylic acid or derivatives - Thiophene - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carbonitrile - Carboxylic acid derivative - Nitrile - Azacycle - Secondary amine - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available