Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=CSC(=N1)C(=N\NC1=CC=C(Br)C=C1)\C#N
InChIKey
InChIKey=MISWXHBZPCERRM-PXLXIMEGSA-N
Formula
C17H10BrN5O2S
Mass
428.26
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
Phenylhydrazines Nitroaromatic compounds 2,4-disubstituted thiazoles Bromobenzenes Aryl bromides Heteroaromatic compounds Nitriles Hydrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Organic zwitterions Organobromides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Phenylhydrazine - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Hydrazone - Organic oxoazanium - Carbonitrile - Nitrile - Organic zwitterion - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
External Descriptors
Not available