Compound Identification
SMILES
[O-]C1=NC(S)=C(C#N)C(C1[N+]1=CC=CC=C1)C1=CC=CC=C1[N+]([O-])=O
InChIKey
InChIKey=XLKDMRDJWHDQEH-UHFFFAOYSA-N
Formula
C17H12N4O3S
Mass
352.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Nitrobenzenes
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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
Nitroaromatic compounds Dihydropyridines Pyridinium derivatives Heteroaromatic compounds Cyclic carboximidic acids Ketene acetals Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Alkylthiols Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Nitroaromatic compound - Dihydropyridine - Hydropyridine - Pyridine - Pyridinium - Heteroaromatic compound - Cyclic carboximidic acid - Ketene acetal or derivatives - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Alkylthiol - Carbonitrile - Nitrile - Organic oxoazanium - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Cyanide - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - 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