Compound Identification
SMILES
O=C(C(C#N)S(=O)(=O)C1=CC=CC=C1)C1=NOC2=C1CSC1=CC=CC=C21
InChIKey
InChIKey=CJRHFMHYEKATTK-UHFFFAOYSA-N
Formula
C19H12N2O4S2
Mass
396.44
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
- Subclass 1-benzothiopyrans
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Class
Benzothiopyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
1-benzothiopyrans
Alternative Parents
Benzenesulfonyl compounds Aryl alkyl ketones Alkylarylthioethers Sulfones Isoxazoles Heteroaromatic compounds Oxacyclic compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonyl group - 1-benzothiopyran - Aryl ketone - Aryl alkyl ketone - Aryl thioether - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Isoxazole - Sulfone - Sulfonyl - Azole - Heteroaromatic compound - Ketone - Thioether - Nitrile - Carbonitrile - Azacycle - Oxacycle - Organic nitrogen compound - Organic oxide - Cyanide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzothiopyrans. These are organic aromatic compounds that 1-benzothiopyran, a bicyclic compound made up of a benzene ring fused to a thiopyran, so that the sulfur atom is at the 1-position.
External Descriptors
Not available