Compound Identification
SMILES
CC1=NC2=C(S1)C(=O)C=C(NC1=CC=C(I)C=C1)C2=O
InChIKey
InChIKey=GEPGTRXJMIXSCB-UHFFFAOYSA-N
Formula
C14H9IN2O2S
Mass
396.2
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Carbonyl compounds
-
Level 5
Ketones
- Level 6 Aryl ketones
-
Level 5
Ketones
-
Subclass
Carbonyl compounds
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
Kingdom
Organic compounds
Superclass
Organic oxygen compounds
Class
Organooxygen compounds
Subclass
Carbonyl compounds
Intermediate Tree Nodes
Ketones
Direct Parent
Aryl ketones
Alternative Parents
Aniline and substituted anilines Secondary alkylarylamines Iodobenzenes Aryl iodides Vinylogous amides Thiazoles Heteroaromatic compounds Enamines Azacyclic compounds Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aniline or substituted anilines - Aryl ketone - Halobenzene - Iodobenzene - Secondary aliphatic/aromatic amine - Aryl halide - Aryl iodide - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Thiazole - Enamine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organoiodide - Organonitrogen compound - Organopnictogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl ketones. These are organic aromatic compounds that contain a ketone group substituted at one C-atom with an aryl group. They have the generic structure RC(=O)R', where R = aryl group and R'=organyl group.
External Descriptors
Not available