Compound Identification
SMILES
ClC1=CC(Br)=C(OCC(=O)NC2=C(C#N)C3=C(CCCCC3)S2)C=C1
InChIKey
InChIKey=WCNFZJJXPTYSHZ-UHFFFAOYSA-N
Formula
C18H16BrClN2O2S
Mass
439.75
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
Phenoxy compounds Phenol ethers N-arylamides Alkyl aryl ethers Bromobenzenes Chlorobenzenes Aryl bromides Aryl chlorides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Nitriles Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Bromobenzene - Chlorobenzene - Halobenzene - Aryl bromide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Nitrile - Carbonitrile - Ether - Carboxylic acid derivative - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organobromide - 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