Compound Identification
SMILES
COC1=CC=CC(=C1)C1C2CCC3=CC=CC=C3C2N=C2SC(=CC3=CC(OC)=C(O)C(Cl)=C3)C(=O)N12
InChIKey
InChIKey=JMWUQTXUDWURDB-UHFFFAOYSA-N
Formula
C29H25ClN2O4S
Mass
533.04
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
- Class Tetralins
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Tetralins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Tetralins
Alternative Parents
Methoxyphenols Phenoxy compounds Anisoles O-chlorophenols Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Heteroaromatic compounds Lactams Isothioureas Azacyclic compounds Organonitrogen compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Methoxyphenol - Tetralin - Phenoxy compound - Anisole - 2-chlorophenol - 2-halophenol - Methoxybenzene - Phenol ether - Alkyl aryl ether - Halobenzene - Chlorobenzene - Phenol - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Thiazole - Isothiourea - Lactam - Azacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tetralins. These are polycyclic aromatic compounds containing a tetralin moiety, which consists of a benzene fused to a cyclohexane.
External Descriptors
Not available