Compound Identification
SMILES
OCC1=CN=C(SCC#C)N1CC1CCCO1
InChIKey
InChIKey=KELSGEBOPAKCNX-UHFFFAOYSA-N
Formula
C12H16N2O2S
Mass
252.33
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Imidazoles
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Level 5
Substituted imidazoles
-
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
Alkylarylthioethers N-substituted imidazoles Tetrahydrofurans Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Acetylides Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
1,2,5-trisubstituted-imidazole - Aryl thioether - Alkylarylthioether - N-substituted imidazole - Heteroaromatic compound - Tetrahydrofuran - Dialkyl ether - Ether - Acetylide - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Aromatic alcohol - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Alcohol - 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