Compound Identification
SMILES
CCOC1=CC=C(NC(=O)CSC2=NN=C(CNC(=O)C3=C(Cl)C=CC(=C3)[N+]([O-])=O)N2C2=CC=CC(C)=C2)C=C1
InChIKey
InChIKey=OFPMVEMJJVVIEJ-UHFFFAOYSA-N
Formula
C27H25ClN6O5S
Mass
581.04
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Azoles
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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
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Class
Azoles
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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
2-halobenzoic acids and derivatives Anilides Benzamides Nitrobenzenes Benzoyl derivatives N-arylamides Nitroaromatic compounds Phenol ethers Phenoxy compounds Toluenes Chlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Heteroaromatic compounds Vinylogous halides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Azacyclic compounds Organic oxoazanium compounds Organochlorides Hydrocarbon derivatives Carbonyl compounds Organic zwitterions Organic oxides Organic salts
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,2,4-triazole - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Nitrobenzene - Benzoic acid or derivatives - Anilide - Benzamide - Phenol ether - Phenoxy compound - Aryl thioether - N-arylamide - Nitroaromatic compound - Benzoyl - Alkylarylthioether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Toluene - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Vinylogous halide - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Ether - Sulfenyl compound - Thioether - Organic oxoazanium - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic zwitterion - Organic salt - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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