Compound Identification
SMILES
OC(CNC1=CC=C(Br)C=C1)CSC1=NN=C(NCC2=CNC3=CC=CC=C23)S1
InChIKey
InChIKey=HLAVCTFBALBVDX-UHFFFAOYSA-N
Formula
C20H20BrN5OS2
Mass
490.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
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Subclass
Indoles
- Level 5 3-alkylindoles
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Subclass
Indoles
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
Not available
Direct Parent
3-alkylindoles
Alternative Parents
Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Bromobenzenes Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Substituted pyrroles Aryl bromides Heteroaromatic compounds Secondary alcohols 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-alkylindole - Aryl thioether - Aniline or substituted anilines - Phenylalkylamine - Bromobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - 2-amino-1,3,4-thiadiazole - Benzenoid - Aryl bromide - Aryl halide - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Thiadiazole - Azole - Pyrrole - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Sulfenyl compound - Thioether - Secondary amine - Alcohol - Organosulfur compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
External Descriptors
Not available