Compound Identification
SMILES
COC1=C(OC)C=C(C=C1)C1=NN2C(=O)C(SC2=N1)=C1C(=O)N(CC2=CC=CC=C2Cl)C2=CC=CC=C12
InChIKey
InChIKey=COWRKIFCPIYCAP-UHFFFAOYSA-N
Formula
C27H19ClN4O4S
Mass
530.98
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Azoles
-
Subclass
Triazoles
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Level 5
Phenyltriazoles
- Level 6 Phenyl-1,2,4-triazoles
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Level 5
Phenyltriazoles
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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
Dimethoxybenzenes Indoles and derivatives Triazolothiazoles Phenoxy compounds Anisoles Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenyl-1,2,4-triazole - O-dimethoxybenzene - Dimethoxybenzene - Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Triazolothiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Thiazole - Heteroaromatic compound - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen 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