Compound Identification
SMILES
CCOC(=O)C1=C(NC=C(C#N)C2=NC(=CS2)C2=CC=C(Br)C=C2)SC2=C1CCCC2
InChIKey
InChIKey=AWCBRWJKDTXMTO-UHFFFAOYSA-N
Formula
C23H20BrN3O2S2
Mass
514.46
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
Thiophene carboxylic acids and derivatives Bromobenzenes 2,4-disubstituted thiazoles Aryl bromides Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Nitriles Enamines Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - Thiophene carboxylic acid or derivatives - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Thiazole - Vinylogous amide - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Amine - Organic oxygen compound - Organic oxide - Organooxygen compound - Cyanide - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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