Compound Identification
SMILES
COC1=C(C2C[C@H]2NC(=S)NC2=NC=C(C=C2)C#N)C(O)=C(C=C1)C(C)=O
InChIKey
InChIKey=FSRLCMRWYUJTNT-ARLHGKGLSA-N
Formula
C19H18N4O3S
Mass
382.44
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
Methoxyphenols Acetophenones Phenoxy compounds 3-pyridinecarbonitriles Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Imidolactams Vinylogous acids Heteroaromatic compounds Thioureas Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Alkyl-phenylketone - Methoxyphenol - Acetophenone - Aryl alkyl ketone - Phenol ether - 3-pyridinecarbonitrile - Methoxybenzene - Phenoxy compound - Benzoyl - Anisole - Phenol - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Imidolactam - Benzenoid - Monocyclic benzene moiety - Pyridine - Heteroaromatic compound - Vinylogous acid - Thiourea - Organoheterocyclic compound - Nitrile - Carbonitrile - Azacycle - Ether - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - 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