Compound Identification
SMILES
CC1=NC(NO1)=C(N)[N+](=O)C(=O)C1=C(Cl)C2=CC=CC=C2S1
InChIKey
InChIKey=APWHBSOVCCISHJ-UHFFFAOYSA-N
Formula
C13H10ClN4O3S
Mass
337.76
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiophenes
- Subclass 1-benzothiophenes
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Class
Benzothiophenes
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiophenes
Subclass
1-benzothiophenes
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiophenes
Alternative Parents
Thiophene carboxamides Aryl chlorides Benzenoids Vinylogous halides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Carboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides Organopnictogen compounds Organochlorides Organonitrogen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Aryl chloride - Aryl halide - Benzenoid - Heteroaromatic compound - Vinylogous halide - Thiophene - Carboxylic acid derivative - Organic oxoazanium - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organic oxide - Organohalogen compound - Organopnictogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophenes. These are aromatic heterocyclic compound containing the Benzo[b]thiophene ring system.
External Descriptors
Not available