Compound Identification
SMILES
O=C(OCCSC1=NNC2=NC3=CC=CC=C3N12)C1=CC=CC=C1
InChIKey
InChIKey=WLXGLESMAJRNKA-UHFFFAOYSA-N
Formula
C17H14N4O2S
Mass
338.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
- Level 5 Benzoic acid esters
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Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Benzoic acid esters
Alternative Parents
Benzimidazoles Benzoyl derivatives Alkylarylthioethers N-substituted imidazoles Triazoles Heteroaromatic compounds Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Benzimidazole - Aryl thioether - Benzoyl - Alkylarylthioether - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - 1,2,4-triazole - Carboxylic acid ester - Thioether - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors
Not available