Compound Identification
SMILES
FC(F)(F)C1CC(N=C2N1NC(C(=O)NC1=C(C#N)C3=C(CCCCC3)S1)=C2Cl)C1=CC=CC=C1
InChIKey
InChIKey=SHXLCXVVJGQPFN-UHFFFAOYSA-N
Formula
C24H21ClF3N5OS
Mass
519.97
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
Alpha amino acids and derivatives Pyrimidinecarboxamides Pyrazolopyrimidines N-arylamides Benzene and substituted derivatives Hydropyrimidines Imidolactams Vinylogous halides Thiophenes Pyrazolines Pyrazoles Heteroaromatic compounds Secondary carboxylic acid amides Amidrazones Vinyl chlorides Amidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Chloroalkenes Nitriles Carbonyl compounds Alkyl fluorides Organochlorides Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alpha-amino acid or derivatives - Cycloheptathiophene - Pyrazolopyrimidine - Pyrimidinecarboxamide - N-arylamide - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Vinylogous halide - Pyrazole - Pyrazoline - Thiophene - Carboxylic acid amidrazone - Carboxamide group - Secondary carboxylic acid amide - Organic 1,3-dipolar compound - Azacycle - Chloroalkene - Haloalkene - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Vinyl halide - Vinyl chloride - Amidine - Alkyl fluoride - Organic nitrogen compound - Alkyl halide - Carbonyl group - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxide - Organic oxygen compound - 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