Compound Identification
SMILES
O=C(C1C(C2=CC=CS2)C(C#N)(C#N)C2C=CC3=C(N12)C1=CC=CC=C1C=C3)C1=CC=CC=C1
InChIKey
InChIKey=ZOIJDJKIRDTKTI-UHFFFAOYSA-N
Formula
C29H19N3OS
Mass
457.55
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
Hydroquinolones Naphthalenes Hydroquinolines Dialkylarylamines Benzoyl derivatives Aryl alkyl ketones Aralkylamines Thiophenes Pyrrolidines Heteroaromatic compounds Alpha-amino ketones Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl-phenylketone - Dihydroquinolone - Dihydroquinoline - Naphthalene - Benzoyl - Tertiary aliphatic/aromatic amine - Aryl alkyl ketone - Dialkylarylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Alpha-aminoketone - Pyrrolidine - Tertiary amine - Nitrile - Carbonitrile - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxide - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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