Compound Identification
SMILES
CCC1=NN=C2SC(=NN12)C1=CC=C(NC(=O)C2=C(Cl)C3=C(S2)C(=CC=C3)[N+]([O-])=O)C=C1
InChIKey
InChIKey=HUJYGKQBEQKEFI-UHFFFAOYSA-N
Formula
C20H13ClN6O3S2
Mass
484.93
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-benzothiophene-2-carboxanilides
Alternative Parents
Aromatic anilides Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds Aryl chlorides Vinylogous halides Triazoles Thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzothiophene-2-carboxanilide - Aromatic anilide - 2-heteroaryl carboxamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - Thiophene carboxamide - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Thiophene - 1,2,4-triazole - Azole - Heteroaromatic compound - Vinylogous halide - Thiadiazole - Secondary carboxylic acid amide - C-nitro compound - Carboxamide group - Organic nitro compound - Azacycle - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organochloride - Organic oxygen compound - Organohalogen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiophene-2-carboxanilides. These are aromatic heteropolycyclic compounds that contain a 1-benzothiophene ring system, which is substituted with an anilide at the 2-position.
External Descriptors
Not available