Compound Identification
SMILES
[I-].COC1=CC=C(C=C1)C(=O)C[NH+](C1=NCCN1)C1=NN=C(C)S1
InChIKey
InChIKey=TWNYHGAAPQLPEO-UHFFFAOYSA-N
Formula
C15H18IN5O2S
Mass
459.31
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
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Level 5
Ketones
-
Level 6
Aryl ketones
-
Level 7
Phenylketones
- Level 8 Alkyl-phenylketones
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Level 7
Phenylketones
-
Level 6
Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones - Aryl ketones - Phenylketones
Direct Parent
Alkyl-phenylketones
Alternative Parents
Phenoxy compounds Anisoles Aryl alkyl ketones Methoxybenzenes Benzoyl derivatives 2-amino-5-substituted-1,3,4-thiadiazoles Alkyl aryl ethers Imidazolines Heteroaromatic compounds Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Hydrocarbon derivatives Organic iodide salts Organic oxides Organic zwitterions Organopnictogen compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Phenol ether - Aryl alkyl ketone - Benzoyl - Methoxybenzene - Anisole - Phenoxy compound - 2-amino-5-substituted-1,3,4-thiadiazole - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 2-amino-1,3,4-thiadiazole - Thiadiazole - Heteroaromatic compound - Azole - 2-imidazoline - Guanidine - Azacycle - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organopnictogen compound - Organic iodide salt - Organic salt - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
External Descriptors
Not available