Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C1=C(CCl)C(=O)C2=CC=CC=C2S1
InChIKey
InChIKey=LAJBSNWHXBFHSA-UHFFFAOYSA-N
Formula
C16H10ClNO3S
Mass
331.77
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Benzothiopyrans
-
Subclass
1-benzothiopyrans
- Level 5 Thioflavones
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Subclass
1-benzothiopyrans
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Class
Benzothiopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzothiopyrans
Subclass
1-benzothiopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Thioflavones
Alternative Parents
Thiochromenes Nitrobenzenes Nitroaromatic compounds Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organooxygen compounds Organonitrogen compounds Organochlorides Organic salts Organic oxides Hydrocarbon derivatives Alkyl chlorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenyl-4h-1-benzothiopyran-4-one - Thiochromene - Nitrobenzene - Nitroaromatic compound - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Alkyl halide - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Alkyl chloride - Organic nitrogen compound - Organic cation - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thioflavones. These are organic compounds that contains the 2-phenyl-4H-1-benzothiopyran-4-one skeleton, which consists of a 1-benzothiopyran-4-one substituted at the 2-position by a phenyl group. These compounds are thio analogues of flavones.
External Descriptors
Not available