Compound Identification
SMILES
FC1=CC=C(NC=C(C#N)C2=NC(=CS2)C2=CC(Br)=CC=C2)C=C1
InChIKey
InChIKey=XNPDGZRQEXCSGI-UHFFFAOYSA-N
Formula
C18H11BrFN3S
Mass
400.27
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
- Superclass Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Aniline and substituted anilines
Intermediate Tree Nodes
Not available
Direct Parent
Aniline and substituted anilines
Alternative Parents
Fluorobenzenes Bromobenzenes 2,4-disubstituted thiazoles Aryl fluorides Aryl bromides Heteroaromatic compounds Nitriles Enamines Azacyclic compounds Organofluorides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Aniline or substituted anilines - 2,4-disubstituted 1,3-thiazole - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Thiazole - Azacycle - Organoheterocyclic compound - Enamine - Carbonitrile - Nitrile - Organonitrogen compound - Amine - Organic nitrogen compound - Organofluoride - Organobromide - Cyanide - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
External Descriptors
Not available