Compound Identification
SMILES
CC(C)(C)C(=O)OCSC1=NC(=NO1)C1=CN=CC=C1
InChIKey
InChIKey=MSCHCJJKSTWBGF-UHFFFAOYSA-N
Formula
C13H15N3O3S
Mass
293.34
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organosulfur compounds
-
Class
Thioethers
- 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
Aryl thioethers
Alternative Parents
Pyridines and derivatives Monothioacetals Heteroaromatic compounds 1,2,4-oxadiazoles Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aryl thioether - Pyridine - 1,2,4-oxadiazole - Azole - Monothioacetal - Oxadiazole - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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