Compound Identification
SMILES
C[C@@H](SC1=NN=NN1C1=C(C)C=C(C)C=C1)C(=O)C(C#N)=C1NC2=CC=CC=C2N1
InChIKey
InChIKey=HNLJJYQELXUOPJ-CQSZACIVSA-N
Formula
C21H19N7OS
Mass
417.49
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Tetrazoles
- Level 5 Phenyltetrazoles and derivatives
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Subclass
Tetrazoles
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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
Benzimidazoles m-Xylenes Alkylarylthioethers Vinylogous amides Heteroaromatic compounds Enones Acryloyl compounds Ketones Ketene acetals Sulfenyl compounds Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyltetrazole - Benzimidazole - Aryl thioether - M-xylene - Xylene - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Acryloyl-group - Enone - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Ketone - Azacycle - Carbonitrile - Nitrile - Sulfenyl compound - Thioether - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Cyanide - Aromatic heteropolycyclic 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