Compound Identification
SMILES
O=C(Nc1ccc2OCOc2c1)c1cnc(Nc2ccc3[nH]ncc3c2)s1
InChIKey
InChIKey=JURYXARAJCYLSX-UHFFFAOYSA-N
Formula
C18H13N5O3S
Mass
379.39
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Benzodioxoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzodioxoles
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzodioxoles
Alternative Parents
Indazoles Thiazolecarboxamides 2,5-disubstituted thiazoles Benzenoids Pyrazoles Heteroaromatic compounds Amino acids and derivatives Secondary amines Oxacyclic compounds Carboxylic acid amides Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indazole - Benzopyrazole - Benzodioxole - Thiazolecarboxylic acid or derivatives - Thiazolecarboxamide - 2,5-disubstituted 1,3-thiazole - Benzenoid - Heteroaromatic compound - Thiazole - Pyrazole - Azole - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Secondary amine - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzodioxoles. These are organic compounds containing a benzene ring fused to either isomers of dioxole. Dioxole is a five-membered unsaturated ring of two oxygen atoms and three carbon atoms.
External Descriptors
Not available