Structure Information
Structure

Compound Identification

SMILES

CC1=NN(C(=O)\C1=C\NC1=C(C#N)C2=C(CCCC2)S1)C1=CC=C(Br)C=C1

InChIKey

InChIKey=MWNIZSOBRFMPNK-GZTJUZNOSA-N

Formula

C20H17BrN4OS

Mass

441.35

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Taxonomic Classification

Taxonomy Tree

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

Bromobenzenes Pyrazolones Aryl bromides Vinylogous amides Heteroaromatic compounds Nitriles Enamines Carboxylic acids and derivatives Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3,4,5-trisubstituted-2-aminothiophene - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrazolinone - Heteroaromatic compound - Pyrazoline - Vinylogous amide - Carboxylic acid derivative - Enamine - Carbonitrile - Nitrile - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Cyanide - 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

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