Compound Identification
SMILES
COC1=C(C=C(NC(=O)CN2N=C(OC2=O)C2=NOC(=C2)C2=CSC(C)=N2)C=C1)C(F)(F)F
InChIKey
InChIKey=XDSZAEIUKUKEQS-UHFFFAOYSA-N
Formula
C19H14F3N5O5S
Mass
481.41
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Trifluoromethylbenzenes
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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 Methoxyanilines Phenoxy compounds Anisoles N-arylamides Methoxybenzenes 2,4-disubstituted thiazoles Alkyl aryl ethers 1,3,4-oxadiazoles Heteroaromatic compounds Isoxazoles Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organofluorides Organopnictogen compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Trifluoromethylbenzene - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - 1,3,4-oxadiazole - Azole - Heteroaromatic compound - Isoxazole - Oxadiazole - Thiazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Oxacycle - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl fluoride - Organopnictogen compound - Organooxygen compound - Aromatic heteromonocyclic 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