Compound Identification
SMILES
NC1=NN=C2N=C(C(C(=O)C3=CC=CS3)C3=NC4=NN=C(N)N4C3=O)C(=O)N12
InChIKey
InChIKey=DAHBGJOHKXPTOV-UHFFFAOYSA-N
Formula
C14H8N10O3S
Mass
396.35
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 7 Aryl alkyl 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 - Aryl ketones
Direct Parent
Aryl alkyl ketones
Alternative Parents
Triazoles Thiophenes Heteroaromatic compounds Lactams Ketimines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Aryl alkyl ketone - Azole - Thiophene - 1,2,4-triazole - Heteroaromatic compound - Ketimine - Lactam - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Primary amine - Organonitrogen compound - Amine - Imine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl group.
External Descriptors
Not available