Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(NC(=O)CSC2=C(C=CC(=N2)C2=CC=CS2)C#N)C=C1
InChIKey
InChIKey=AWKXCKJLIMFNCA-UHFFFAOYSA-N
Formula
C18H12N4O3S2
Mass
396.44
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
Anilides 3-pyridinecarbonitriles Nitroaromatic compounds N-arylamides Alkylarylthioethers Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Nitriles Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Anilide - Nitrobenzene - Aryl thioether - Nitroaromatic compound - N-arylamide - 3-pyridinecarbonitrile - Alkylarylthioether - Pyridine - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - 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 - Organic oxoazanium - Azacycle - Sulfenyl compound - Nitrile - Thioether - Carbonitrile - Carboxylic acid derivative - Carbonyl group - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic nitrogen compound - 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