Compound Identification
SMILES
NC1=C(SCC(=O)C2=CC=C(C=C2)N=[N+]=[N-])C=NC(=O)N1
InChIKey
InChIKey=SPDTXCFSGOHJQR-UHFFFAOYSA-N
Formula
C12H10N6O2S
Mass
302.31
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
Phenylazides Aryl alkyl ketones Benzoyl derivatives Pyrimidones Alkylarylthioethers Aminopyrimidines and derivatives Hydropyrimidines Heteroaromatic compounds Azo compounds Azo imides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Primary amines
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Aryl thioether - Benzoyl - Aryl alkyl ketone - Phenylazide - Aminopyrimidine - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Azo compound - Azo imide - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Organosulfur compound - Organonitrogen compound - Organic salt - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic zwitterion - Primary amine - Organic oxide - 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