Compound Identification
SMILES
O=C(NC1=NN=C(NCC2=CC=NC=C2)S1)C1=CC2=C(C=C1)C(=O)OC2=O
InChIKey
InChIKey=VOTOIMZLOPRWTE-UHFFFAOYSA-N
Formula
C17H11N5O4S
Mass
381.37
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzofurans
-
Subclass
Benzofuranones
- Level 5 Phthalic anhydrides
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Subclass
Benzofuranones
-
Class
Benzofurans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzofurans
Subclass
Benzofuranones
Intermediate Tree Nodes
Not available
Direct Parent
Phthalic anhydrides
Alternative Parents
Isobenzofuranones 2-amino-5-substituted-1,3,4-thiadiazoles Secondary alkylarylamines Pyridines and derivatives Benzenoids Dicarboxylic acids and derivatives Carboxylic acid anhydrides Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalic anhydride - Phthalic_anhydride - Isobenzofuranone - Isocoumaran - Secondary aliphatic/aromatic amine - 2-amino-5-substituted-1,3,4-thiadiazole - Pyridine - 2-amino-1,3,4-thiadiazole - Benzenoid - Dicarboxylic acid or derivatives - Azole - Thiadiazole - Heteroaromatic compound - Carboxylic acid anhydride - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Secondary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalic anhydrides. These are compounds containing a phthalic anhydride moiety (or a derivative thereof), which consists of a benzene fused to a furan-1,3-dione.
External Descriptors
Not available