Structure Information
Structure

Compound Identification

SMILES

FC(F)(F)C1=CC(=NC2=NC(C(=O)NC3=C(C#N)C4=C(CCCCC4)S3)=C(Cl)N12)C1=CC=CS1

InChIKey

InChIKey=DEARWTAKUWBEMD-UHFFFAOYSA-N

Formula

C22H15ClF3N5OS2

Mass

521.96

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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 - Pyrimidinecarboxamide - Imidazo[1,2-a]pyrimidine - 2-heteroaryl carboxamide - Imidazole-4-carbonyl group - Pyrimidine - N-substituted imidazole - Aryl halide - Aryl chloride - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organofluoride - 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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