Compound Identification
SMILES
[O-][N+](=O)C1=NNC(C(=O)NC2=C(C#N)C3=C(CCCCC3)S2)=C1Br
InChIKey
InChIKey=ABNPVXIEEGVIQQ-UHFFFAOYSA-N
Formula
C14H12BrN5O3S
Mass
410.25
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
Pyrazole-5-carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds Aryl bromides Imidolactams Vinylogous halides Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Nitriles Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organobromides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Cycloheptathiophene - 2-heteroaryl carboxamide - Nitroaromatic compound - Pyrazole-5-carboxamide - Aryl bromide - Aryl halide - Imidolactam - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Vinylogous halide - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic oxoazanium - Cyanide - Organobromide - Organohalogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organic salt - 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