Compound Identification
SMILES
OC1=CC=C(C=C1)C1=C(C(=O)C2=CC=C(C=C2)N=[N+]=[N-])C2=C(S1)C=C(O)C=C2
InChIKey
InChIKey=XBMPLXNNPNMNRV-UHFFFAOYSA-N
Formula
C21H13N3O3S
Mass
387.41
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 Aryl-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
Aryl-phenylketones
Alternative Parents
3-aroylthiophenes 1-benzothiophenes Thiophene carboxylic acids and derivatives Phenylazides Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Azo imides Azo compounds Organic salts Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl-phenylketone - 3-aroylthiophene - Benzothiophene - 1-benzothiophene - Benzoyl - Phenylazide - Thiophene carboxylic acid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Azo imide - Azo compound - Organoheterocyclic compound - Organic salt - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl-phenylketones. These are aromatic compounds containing a ketone substituted by one aryl group, and a phenyl group.
External Descriptors
Not available