Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=NNC(C(=O)NC2=C(C#N)C3=C(CCCCC3)S2)=C1Br

InChIKey

InChIKey=ABNPVXIEEGVIQQ-UHFFFAOYSA-N

Formula

C14H12BrN5O3S

Mass

410.25

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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 - 2-heteroaryl carboxamide - Nitroaromatic compound - Pyrazole-5-carboxamide - Aryl bromide - Aryl halide - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Vinylogous halide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Cyanide - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic salt - 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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