Compound Identification
SMILES
C[C@](O)(COC1=CC=C(C=C1)N=C=S)C(=O)NC1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=SJWMTXJQSDNMAN-KRWDZBQOSA-N
Formula
C18H14F3N3O5S
Mass
441.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Trifluoromethylbenzenes
Intermediate Tree Nodes
Not available
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
Anilides Nitrobenzenes Phenoxy compounds Phenol ethers N-arylamides Nitroaromatic compounds Alkyl aryl ethers Tertiary alcohols Secondary carboxylic acid amides Isothiocyanates Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic oxides Organic salts Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Alkyl fluorides Organofluorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Trifluoromethylbenzene - Nitrobenzene - Anilide - Phenol ether - N-arylamide - Phenoxy compound - Nitroaromatic compound - Alkyl aryl ether - Tertiary alcohol - Organic nitro compound - Carboxamide group - Isothiocyanate - C-nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organofluoride - Hydrocarbon derivative - Organohalogen compound - Organic nitrogen compound - Organic oxide - Organic salt - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Organooxygen compound - Organosulfur compound - Alcohol - Carbonyl group - Organic zwitterion - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
External Descriptors
Not available