Compound Identification
SMILES
BrC1=CC=CC=C1C1=NN=C(O1)SCC(=O)NC1=C(C#N)C2=C(CCCCC2)S1
InChIKey
InChIKey=XEQUTSBLJABDNE-UHFFFAOYSA-N
Formula
C20H17BrN4O2S2
Mass
489.41
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
N-arylamides Alkylarylthioethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds 1,3,4-oxadiazoles Secondary carboxylic acid amides Oxacyclic compounds Nitriles Azacyclic compounds Sulfenyl compounds Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - Aryl thioether - N-arylamide - Halobenzene - Bromobenzene - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxadiazole - Thiophene - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Carbonitrile - Nitrile - Thioether - Cyanide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - 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