Compound Identification
SMILES
CCOC(=O)C1=C(N=C(N1)SC)[N+]#N
InChIKey
InChIKey=OEFJIUATYPNBEE-UHFFFAOYSA-O
Formula
C7H9N4O2S
Mass
213.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
-
Level 6
Trisubstituted imidazoles
- Level 7 2,4,5-trisubstituted imidazoles
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Level 6
Trisubstituted imidazoles
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Level 5
Substituted imidazoles
-
Subclass
Imidazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Imidazoles
Intermediate Tree Nodes
Substituted imidazoles - Trisubstituted imidazoles
Direct Parent
2,4,5-trisubstituted imidazoles
Alternative Parents
Carbonylimidazoles Alkylarylthioethers Heteroaromatic compounds Organic diazonium salts Carboxylic acid esters Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2,4,5-trisubstituted-imidazole - Aryl thioether - Imidazole-4-carbonyl group - Alkylarylthioether - Heteroaromatic compound - Carboxylic acid ester - Organic diazonium salt - Carboxylic acid derivative - Thioether - Sulfenyl compound - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 2, 4, and 5.
External Descriptors
Not available