Compound Identification
SMILES
NC1=C(C#N)[C@@H](C2=CC(Br)=CC=C2)C(C#N)=C(S)N1
InChIKey
InChIKey=SRYHWYLCJGWKHZ-LLVKDONJSA-N
Formula
C13H9BrN4S
Mass
333.21
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Halobenzenes
- Level 5 Bromobenzenes
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Subclass
Halobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Halobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Bromobenzenes
Alternative Parents
Dihydropyridines Aryl bromides Ketene acetals Nitriles Dialkylamines Azacyclic compounds Alkylthiols Organopnictogen compounds Organobromides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Bromobenzene - Dihydropyridine - Aryl bromide - Aryl halide - Hydropyridine - Ketene acetal or derivatives - Alkylthiol - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Organopnictogen compound - Organic nitrogen compound - Primary aliphatic amine - Hydrocarbon derivative - Amine - Organohalogen compound - Organobromide - Organonitrogen compound - Organosulfur compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as bromobenzenes. These are organic compounds containing a bromine atom attached to a benzene ring.
External Descriptors
Not available