Compound Identification
SMILES
CCOC(=O)C1=CN=C(SC2=C(C=CC=N2)[N+]([O-])=O)N=C1N
InChIKey
InChIKey=XLYMFRHIKHWSRY-UHFFFAOYSA-N
Formula
C12H11N5O4S
Mass
321.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
-
Subclass
Aryl thioethers
- Level 5 Diarylthioethers
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Subclass
Aryl thioethers
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Class
Thioethers
-
Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Diarylthioethers
Alternative Parents
Pyrimidinecarboxylic acids Nitroaromatic compounds Aminopyrimidines and derivatives Pyridines and derivatives Imidolactams Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic zwitterions Organic salts Organic oxides Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Diarylthioether - Pyrimidine-5-carboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Nitroaromatic compound - Aminopyrimidine - Pyridine - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Organic nitro compound - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Carboxylic acid derivative - Organoheterocyclic compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl groups.
External Descriptors
Not available