Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(=C1)C(=O)CN1C(=S)NC2=CC=CC=C12
InChIKey
InChIKey=XTDUTELTAVVUJG-UHFFFAOYSA-N
Formula
C15H11N3O3S
Mass
313.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
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
Benzimidazoles Nitrobenzenes Aryl alkyl ketones Benzoyl derivatives Nitroaromatic compounds Imidazolethiones N-substituted imidazoles Heteroaromatic compounds Thioureas Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Benzimidazole - Nitrobenzene - Nitroaromatic compound - Benzoyl - Aryl alkyl ketone - Monocyclic benzene moiety - Imidazole-2-thione - N-substituted imidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Thiourea - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic 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