Compound Identification
SMILES
CSC1=C(C=C(S1)C(=O)C(N)=N)C1=NC(=CS1)C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=RUGYKPYEQQMRTM-UHFFFAOYSA-N
Formula
C16H12N4O3S3
Mass
404.48
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
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Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Nitrobenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Nitrobenzenes
Alternative Parents
2,3,5-trisubstituted thiophenes Nitroaromatic compounds Aryl ketones 2,4-disubstituted thiazoles Alkylarylthioethers Heteroaromatic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Carboxamidines Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Nitrobenzene - Aryl thioether - Nitroaromatic compound - Aryl ketone - 2,3,5-trisubstituted thiophene - 2,4-disubstituted 1,3-thiazole - Alkylarylthioether - Azole - Heteroaromatic compound - Thiazole - Thiophene - Ketone - C-nitro compound - Organic nitro compound - Amidine - Carboxylic acid amidine - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Thioether - Carboximidamide - Sulfenyl compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organic nitrogen compound - Organic oxide - Organic salt - Hydrocarbon derivative - Organic oxygen compound - Organic zwitterion - Organonitrogen compound - Organooxygen 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