Compound Identification
SMILES
COC1=CC=C(CN2C(C=O)=CN=C2SC)C=C1
InChIKey
InChIKey=BPEFJLLAXJACKC-UHFFFAOYSA-N
Formula
C13H14N2O2S
Mass
262.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Imidazoles
-
Level 5
Substituted imidazoles
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Level 6
Trisubstituted imidazoles
- Level 7 1,2,5-trisubstituted imidazoles
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Level 6
Trisubstituted imidazoles
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Level 5
Substituted imidazoles
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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
1,2,5-trisubstituted imidazoles
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Carbonylimidazoles Aryl-aldehydes Alkylarylthioethers Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,5-trisubstituted-imidazole - Phenoxy compound - Aryl thioether - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Imidazole-4-carbonyl group - Alkylarylthioether - Aryl-aldehyde - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Heteroaromatic compound - Azacycle - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Aldehyde - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as 1,2,5-trisubstituted imidazoles. These are imidazoles in which the imidazole ring is substituted at positions 1, 2, and 5.
External Descriptors
Not available