Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1N1NC(C2=CC=CS2)=C2CCN=C12
InChIKey
InChIKey=DUUQGKNUMWAPRQ-UHFFFAOYSA-N
Formula
C15H12N4O2S
Mass
312.35
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
Pyrrolopyrazoles Nitroaromatic compounds Imidolactams Thiophenes Pyrrolines Pyrazolines Heteroaromatic compounds Amidrazones Propargyl-type 1,3-dipolar organic compounds Amidines Organic oxoazanium compounds Azacyclic compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Pyrrolopyrazole - Imidolactam - Pyrazoline - Heteroaromatic compound - Pyrroline - Thiophene - Carboxylic acid amidrazone - C-nitro compound - Organic nitro compound - Amidine - Organic oxoazanium - Azacycle - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organic oxygen compound - Organic salt - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organic cation - 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