Compound Identification
SMILES
CCCC1=NC(Br)=C(N1CC1=CC=C(C=C1)C1=CC=CC=C1C1=NNN=N1)S(C)(=O)=O
InChIKey
InChIKey=BLKOPOUGHBDPCW-UHFFFAOYSA-N
Formula
C21H21BrN6O2S
Mass
501.4
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenyltetrazoles and derivatives 1,2,4,5-tetrasubstituted imidazoles N-substituted imidazoles Aryl bromides Sulfones Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Phenyltetrazole - 1,2,4,5-tetrasubstituted imidazole - Aryl bromide - Aryl halide - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Tetrazole - Sulfonyl - Sulfone - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available