Compound Identification
SMILES
CCOC(=O)C1=C(C)C(C#N)=C(N\C=C2\C(C)=NN(C2=O)C2=C(C)C(C)=C(Br)C=C2)S1
InChIKey
InChIKey=FYZJNXAFRDMVPK-YBEGLDIGSA-N
Formula
C22H21BrN4O3S
Mass
501.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Thiophenes
-
Subclass
Aminothiophenes
- Level 5 2-aminothiophenes
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Subclass
Aminothiophenes
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Class
Thiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thiophenes
Subclass
Aminothiophenes
Intermediate Tree Nodes
2-aminothiophenes
Direct Parent
3,4,5-trisubstituted-2-aminothiophenes
Alternative Parents
o-Xylenes Thiophene carboxylic acids and derivatives Bromobenzenes Pyrazolones Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Nitriles Enamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - O-xylene - Xylene - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Heteroaromatic compound - Pyrazoline - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 3,4,5-trisubstituted-2-aminothiophenes. These are organic compounds containing a thiophene ring substituted at the 2-,3-,4-, and 5-position, with an amine group at the 2-position.
External Descriptors
Not available