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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Cycloheptathiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Cycloheptathiophenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Cycloheptathiophenes
Alternative Parents
Pyrimidinecarboxamides Imidazo[1,2-a]pyrimidines 2-heteroaryl carboxamides Carbonylimidazoles Aryl chlorides N-substituted imidazoles Vinylogous halides Vinylogous amides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Nitriles Organic oxides Organochlorides Organooxygen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
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