Compound Identification
SMILES
O=C1NC(=S)N(C=C(C2=CC=CC=C2)S(=O)CC2=CC=CC=C2)C=C1
InChIKey
InChIKey=PEIXJCIIORKYCP-UHFFFAOYSA-N
Formula
C19H16N2O2S2
Mass
368.47
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzyl sulfoxides
- Level 5 Benzyl alkyl sulfoxides
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Subclass
Benzyl sulfoxides
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzyl sulfoxides
Intermediate Tree Nodes
Not available
Direct Parent
Benzyl alkyl sulfoxides
Alternative Parents
Styrenes 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Hydropyrimidines Vinylogous amides Heteroaromatic compounds Thioureas Sulfoxides Lactams Sulfinyl compounds Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzyl alkyl sulfoxide - Styrene - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Hydropyrimidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Lactam - Sulfoxide - Thiourea - Azacycle - Organoheterocyclic compound - Sulfinyl compound - Hydrocarbon derivative - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzyl alkyl sulfoxides. These are organosulfur compounds that contain a sulfoxide group substituted by a benzyl group, and an alkyl group. They have the general structure RS(=O)R' ( R=benzyl, R'=alkyl).
External Descriptors
Not available