Compound Identification
SMILES
CC1=C(C)C=C(CCCC(=O)C2=CC(Cl)=C(CCC(C)(N)CO)S2)C=C1
InChIKey
InChIKey=OFPCQCCQDBOLFT-UHFFFAOYSA-N
Formula
C21H28ClNO2S
Mass
393.97
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Xylenes
Intermediate Tree Nodes
Not available
Direct Parent
o-Xylenes
Alternative Parents
Aryl alkyl ketones 2,3,5-trisubstituted thiophenes Aralkylamines Aryl chlorides Heteroaromatic compounds 1,2-aminoalcohols Primary alcohols Organochlorides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
O-xylene - 2,3,5-trisubstituted thiophene - Aryl ketone - Aryl alkyl ketone - Aralkylamine - Aryl chloride - Aryl halide - Thiophene - Heteroaromatic compound - 1,2-aminoalcohol - Ketone - Organoheterocyclic compound - Organic oxide - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Primary aliphatic amine - Alcohol - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions.
External Descriptors
Not available