Compound Identification
SMILES
COC1=CC=CC=C1N1N=NN=C1SCC(=O)NC1=C(C=C(C=C1)C(F)(F)F)N1CCCC1
InChIKey
InChIKey=QZCOETXOCQZKRK-UHFFFAOYSA-N
Formula
C21H21F3N6O2S
Mass
478.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
-
Subclass
Tetrazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Tetrazoles
Intermediate Tree Nodes
Not available
Direct Parent
Phenyltetrazoles and derivatives
Alternative Parents
Phenylpyrrolidines Trifluoromethylbenzenes 2'-Aminoanilides Methoxyanilines Anisoles Dialkylarylamines Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Alkylarylthioethers Heteroaromatic compounds Pyrroles Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Sulfenyl compounds Alkyl fluorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyltetrazole - 1-phenylpyrrolidine - Trifluoromethylbenzene - 2'-aminoanilide - Anilide - Methoxyaniline - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Phenoxy compound - Aryl thioether - Methoxybenzene - Phenol ether - Anisole - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Ether - Amine - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenyltetrazoles and derivatives. These are compounds containing a phenyltetrazole skeleton, which consists of a tetrazole bound to a phenyl group.
External Descriptors
Not available