Compound Identification
SMILES
CC1=C(SC(=N1)C1=CC=C(C=C1)[N+]([O-])=O)C1=NC(NC2=CC=C(F)C=C2)=NC=C1
InChIKey
InChIKey=YVZGLWNYHBEZPZ-UHFFFAOYSA-N
Formula
C20H14FN5O2S
Mass
407.42
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
2,4,5-trisubstituted thiazoles Aniline and substituted anilines Nitroaromatic compounds Aminopyrimidines and derivatives Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organofluorides Organic salts Organic zwitterions Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - 2,4,5-trisubstituted 1,3-thiazole - Nitroaromatic compound - Aniline or substituted anilines - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azole - Thiazole - Organic nitro compound - C-nitro compound - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organic salt - Hydrocarbon derivative - Organic zwitterion - 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