Compound Identification
SMILES
CCC1=NN=C(NC(=O)[C@H](C)SC2=CC=C(C=C2)[N+]([O-])=O)S1
InChIKey
InChIKey=PFPDIFCTECJIAM-QMMMGPOBSA-N
Formula
C13H14N4O3S2
Mass
338.4
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
Thiophenol ethers N-arylamides Nitroaromatic compounds Alkylarylthioethers Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organic salts Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Thiophenol ether - N-arylamide - Alkylarylthioether - Azole - Thiadiazole - Heteroaromatic compound - Carboxamide group - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Thioether - Carboxylic acid derivative - Organic oxoazanium - Organic zwitterion - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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