Compound Identification
SMILES
CCN(CC)CCN1N=C2C3=C1C=CC(NCCN)=C3S(=O)(=O)C1=CC=CC=C21
InChIKey
InChIKey=PQNDLIIMIXMLOM-UHFFFAOYSA-N
Formula
C21H27N5O2S
Mass
413.54
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzopyrazoles
- Subclass Indazoles
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Class
Benzopyrazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrazoles
Subclass
Indazoles
Intermediate Tree Nodes
Not available
Direct Parent
Indazoles
Alternative Parents
1-benzothiopyrans Secondary alkylarylamines Benzenoids Sulfones Pyrazoles Heteroaromatic compounds Trialkylamines Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzopyrazole - Indazole - 1-benzothiopyran - Benzothiopyran - Secondary aliphatic/aromatic amine - Benzenoid - Azole - Pyrazole - Sulfone - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Amine - Organic oxide - Primary amine - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indazoles. These are compounds containing an indazole, which is structurally characterized by a pyrazole fused to a benzene.
External Descriptors
Not available