Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=C(CN(C)CC2=CC=C(Br)C=C2)C(C#N)=C(N)S1

InChIKey

InChIKey=FDQWOLNORSNHDW-UHFFFAOYSA-N

Formula

C17H18BrN3O2S

Mass

408.31

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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

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

3,4,5-trisubstituted-2-aminothiophene - Benzylamine - Phenylmethylamine - Thiophene carboxylic acid or derivatives - Bromobenzene - Halobenzene - Aralkylamine - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Carbonitrile - Nitrile - Primary amine - Organohalogen compound - Cyanide - Organobromide - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Amine - 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

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