Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC=C1NC1=C(C#N)C2=C(CCCC2)S1
InChIKey
InChIKey=BSOCREKRSSBXNK-UHFFFAOYSA-N
Formula
C15H13N3O2S
Mass
299.35
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
3,4,5-trisubstituted-2-aminothiophenes Nitroaromatic compounds Aniline and substituted anilines N-arylated-2-aminothiophenes Heteroaromatic compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3,4,5-trisubstituted-2-aminothiophene - Nitrobenzene - Aniline or substituted anilines - Nitroaromatic compound - N-arylated-2-aminothiophene - 2-aminothiophene - Heteroaromatic compound - Thiophene - Organic nitro compound - C-nitro compound - Organic oxoazanium - Nitrile - Carbonitrile - Organoheterocyclic compound - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen 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