Compound Identification
SMILES
OC(=O)CSC1=C(NC2=NC=C(C=C2)[N+]([O-])=O)C=CC=N1
InChIKey
InChIKey=SIMQAUFSBNNHDE-UHFFFAOYSA-N
Formula
C12H10N4O4S
Mass
306.3
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- Subclass Aryl thioethers
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Class
Thioethers
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Superclass
Organosulfur compounds
Kingdom
Organic compounds
Superclass
Organosulfur compounds
Class
Thioethers
Subclass
Aryl thioethers
Intermediate Tree Nodes
Not available
Direct Parent
Aryl thioethers
Alternative Parents
Nitroaromatic compounds Alkylarylthioethers Aminopyridines and derivatives Imidolactams Heteroaromatic compounds Amino acids Sulfenyl compounds Secondary amines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Nitroaromatic compound - Aminopyridine - Alkylarylthioether - Pyridine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - C-nitro compound - Organic nitro compound - Amino acid - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxoazanium - Secondary amine - Sulfenyl compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Amine - Carbonyl group - Organopnictogen compound - Organic oxide - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
External Descriptors
Not available