Compound Identification
SMILES
CSC1=NC2=C(C=NN2C)C(NCC2=CC=C(C=C2)[N+]([O-])=O)=N1
InChIKey
InChIKey=ADAFTVWYRDRDAH-UHFFFAOYSA-N
Formula
C14H14N6O2S
Mass
330.37
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
Pyrazolo[3,4-d]pyrimidines Benzylamines Nitroaromatic compounds Alkylarylthioethers Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Pyrazoles Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Sulfenyl compounds Organic zwitterions Organic salts Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[3,4-d]pyrimidine - Nitrobenzene - Pyrazolopyrimidine - Aryl thioether - Nitroaromatic compound - Benzylamine - Aminopyrimidine - Alkylarylthioether - Imidolactam - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - C-nitro compound - Organic nitro compound - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Thioether - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organonitrogen compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Amine - Organic nitrogen compound - Aromatic heteropolycyclic 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