Structure Information
Structure

Compound Identification

SMILES

BrC1=CC=CC=C1C1=NN=C(O1)SCC(=O)NC1=C(C#N)C2=C(CCCCC2)S1

InChIKey

InChIKey=XEQUTSBLJABDNE-UHFFFAOYSA-N

Formula

C20H17BrN4O2S2

Mass

489.41

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Cycloheptathiophenes

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Cycloheptathiophenes

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Cycloheptathiophene - Aryl thioether - N-arylamide - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxadiazole - Thiophene - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Carbonitrile - Nitrile - Thioether - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as cycloheptathiophenes. These are polycyclic compounds containing a thiophene ring fused to a 7 member carbocyclic moiety. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur atom.

External Descriptors

Not available

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