Compound Identification
SMILES
CC1=C(C)C2=C(SC(C(=O)N3CC(Br)(C3)C3=CC=CC=C3)=C2N)N=N1
InChIKey
InChIKey=GMKUTCNYWFNHGF-UHFFFAOYSA-N
Formula
C18H17BrN4OS
Mass
417.33
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azetidines
- Subclass Phenylazetidines
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Class
Azetidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azetidines
Subclass
Phenylazetidines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylazetidines
Alternative Parents
Thiophene carboxamides 2-heteroaryl carboxamides Pyridazines and derivatives Aminothiophenes Benzene and substituted derivatives Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Organic oxides Primary amines Organobromides Organooxygen compounds Alkyl bromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-phenylazetidine - 2-heteroaryl carboxamide - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aminothiophene - Monocyclic benzene moiety - Pyridazine - Benzenoid - Heteroaromatic compound - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Azacycle - Primary amine - Organic oxide - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Organic oxygen compound - Organic nitrogen compound - Alkyl bromide - Amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
External Descriptors
Not available