Compound Identification
SMILES
CC1=CC(C)=C2N=C(NC(=O)C3=CC=C(S3)[N+]([O-])=O)SC2=C1
InChIKey
InChIKey=UHHPFQNPZFKRCL-UHFFFAOYSA-N
Formula
C14H11N3O3S2
Mass
333.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzothiazoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiazoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzothiazoles
Alternative Parents
2-nitrothiophenes Thiophene carboxamides 2-heteroaryl carboxamides Nitroaromatic compounds 2,5-disubstituted thiophenes Benzenoids Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Organonitrogen compounds Organopnictogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1,3-benzothiazole - 2-nitrothiophene - Nitrothiophene - 2-heteroaryl carboxamide - Thiophene carboxamide - Nitroaromatic compound - Thiophene carboxylic acid or derivatives - 2,5-disubstituted thiophene - Benzenoid - Heteroaromatic compound - Thiophene - Azole - Thiazole - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Carboxylic acid derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzothiazoles. These are organic compounds containing a benzene fused to a thiazole ring (a five-membered ring with four carbon atoms, one nitrogen atom and one sulfur atom).
External Descriptors
Not available