Compound Identification
SMILES
[O-][N+](=O)C1=CC(Br)=CC(=C1)C(Cl)CN1CCSC1=N
InChIKey
InChIKey=MVRBILZPSOACJK-UHFFFAOYSA-N
Formula
C11H11BrClN3O2S
Mass
364.64
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
Nitroaromatic compounds Bromobenzenes Aryl bromides Thiazolidines Isothioureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxoazanium compounds Organobromides Imines Hydrocarbon derivatives Alkyl chlorides Organic salts Organic oxides Organochlorides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Thiazolidine - Organic nitro compound - C-nitro compound - Isothiourea - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboximidamide - Organic 1,3-dipolar compound - Organic oxoazanium - Organoheterocyclic compound - Alkyl chloride - Alkyl halide - Organobromide - Organochloride - Organohalogen compound - Organonitrogen compound - Organic salt - Imine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - 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