Compound Identification
SMILES
OC(CNC1=CC(=CC=C1)[N+]([O-])=O)CSC1=NC(C2=CC=CC=C2)=C(N=N1)C1=CC=CC=C1
InChIKey
InChIKey=ICBHZJDZBMNUFL-UHFFFAOYSA-N
Formula
C24H21N5O3S
Mass
459.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
-
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
Phenylalkylamines Aniline and substituted anilines Nitroaromatic compounds Secondary alkylarylamines Alkylarylthioethers 1,2,4-triazines Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Phenylalkylamine - Aniline or substituted anilines - Secondary aliphatic/aromatic amine - Alkylarylthioether - 1,2,4-triazine - Triazine - Heteroaromatic compound - 1,2-aminoalcohol - C-nitro compound - Secondary alcohol - Organic nitro compound - Organic oxoazanium - Azacycle - Secondary amine - Thioether - Organoheterocyclic compound - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Alcohol - Hydrocarbon derivative - Organosulfur compound - Amine - Organic oxygen compound - Organic oxide - Organic zwitterion - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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