Compound Identification
SMILES
COC1=CC=C(C=C1)[S@@](=O)C1=CC=C(C=C1)C(C#N)N1CCN(CC1)C1CCCCC1
InChIKey
InChIKey=BFELQLHLUNQIHL-KHTLXAHUSA-N
Formula
C25H31N3O2S
Mass
437.6
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Phenyl sulfoxides
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles N-alkylpiperazines Cyclohexylamines Aralkylamines Alkyl aryl ethers Trialkylamines Sulfoxides Alpha-aminonitriles Sulfinyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl sulfoxide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Cyclohexylamine - Aralkylamine - N-alkylpiperazine - 1,4-diazinane - Piperazine - Alpha-aminonitrile - Sulfoxide - Tertiary amine - Tertiary aliphatic amine - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Cyanide - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl sulfoxides. These are organosulfur compounds containing a sulfoxide group substituted with a phenyl group.
External Descriptors
Not available