Compound Identification
SMILES
COC1=C(OCC2=CC=CC=C2)C=C2C(CC3=C(Br)SC(Br)=C3)=NCCC2=C1
InChIKey
InChIKey=SWHQTRKUZJJJOT-UHFFFAOYSA-N
Formula
C22H19Br2NO2S
Mass
521.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Dihydroisoquinolines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Dihydroisoquinolines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Dihydroisoquinolines
Alternative Parents
Anisoles 2,3,5-trisubstituted thiophenes Alkyl aryl ethers Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dihydroisoquinoline - Anisole - 2,3,5-trisubstituted thiophene - Alkyl aryl ether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Ketimine - Azacycle - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Organopnictogen compound - Imine - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dihydroisoquinolines. These are isoquinoline derivatives where exactly two carbon atoms joined by an aromatic bond are linked with a hydrogen atom each, resulting in a CC single bond.
External Descriptors
Not available