Compound Identification
SMILES
ClC1=CC=C(C=C1)C1=NN([C@@H]2CC(=O)[C@@H]3OC[C@H]2O3)C(=S)N1C1=CC=CC=C1
InChIKey
InChIKey=HZZBZOJDSUOOLF-SZVBFZGTSA-N
Formula
C20H16ClN3O3S
Mass
413.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Azoles
-
Subclass
Triazoles
-
Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
-
Level 5
Phenyltriazoles
-
Subclass
Triazoles
-
Class
Azoles
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azoles
Subclass
Triazoles
Intermediate Tree Nodes
Phenyltriazoles
Direct Parent
Phenyl-1,2,4-triazoles
Alternative Parents
Oxepanes Chlorobenzenes Oxanes Aryl chlorides 1,3-dioxolanes Heteroaromatic compounds Ketones Oxacyclic compounds Acetals Azacyclic compounds Organonitrogen compounds Organopnictogen compounds Aldehydes Organosulfur compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - Oxepane - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Oxane - Meta-dioxolane - Heteroaromatic compound - Ketone - Acetal - Oxacycle - Azacycle - Organic nitrogen compound - Organochloride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Aldehyde - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenyl-1,2,4-triazoles. These are organic compounds containing a 1,2,4-triazole substituted by a phenyl group.
External Descriptors
Not available