Compound Identification
SMILES
CC1=C(NC2=CC(=C(Cl)C=C12)C(F)(F)F)C(C)(O)CSC1=CC=C(F)C=C1
InChIKey
InChIKey=BALWVWPPQUNVDQ-UHFFFAOYSA-N
Formula
C19H16ClF4NOS
Mass
417.85
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indoles
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Level 5
3-alkylindoles
- Level 6 3-methylindoles
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Level 5
3-alkylindoles
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Subclass
Indoles
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indoles
Intermediate Tree Nodes
3-alkylindoles
Direct Parent
3-methylindoles
Alternative Parents
Thiophenol ethers Alkylarylthioethers Fluorobenzenes Aryl chlorides Aryl fluorides Substituted pyrroles Heteroaromatic compounds Tertiary alcohols Sulfenyl compounds Azacyclic compounds Organochlorides Hydrocarbon derivatives Alkyl fluorides Organofluorides Organonitrogen compounds Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methylindole - Thiophenol ether - Aryl thioether - Fluorobenzene - Halobenzene - Alkylarylthioether - Aryl chloride - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Tertiary alcohol - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Alkyl fluoride - Alcohol - Organic nitrogen compound - Aromatic alcohol - Hydrocarbon derivative - Alkyl halide - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-methylindoles. These are aromatic heterocyclic compounds that contain an indole moiety substituted at the 3-position with a methyl group.
External Descriptors
Not available