N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CHEM322046)
| Record Information | |||||||||
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| Version | 1.0 | ||||||||
| Creation Date | 2026-08-30 04:13:43 UTC | ||||||||
| Update Date | 2026-08-30 04:13:43 UTC | ||||||||
| Accession Number | CHEM322046 | ||||||||
| Identification | |||||||||
| Common Name | N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | ||||||||
| Class | Small Molecule | ||||||||
| Description | N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is a chemical compound with the formula C21H20Cl3N5OS. It has an average molecular weight of 496.80 g/mol. | ||||||||
| Contaminant Sources | Not Available | ||||||||
| Contaminant Type | Not Available | ||||||||
| Chemical Structure |  | ||||||||
| Synonyms | Not Available | ||||||||
| Chemical Formula | C21H20Cl3N5OS | ||||||||
| Average Molecular Mass | Not Available | ||||||||
| Monoisotopic Mass | 495.045 g/mol | ||||||||
| CAS Registry Number | 540498-40-6 | ||||||||
| IUPAC Name | N-(3-chloro-2-methylphenyl)-2-[[5-[(3,4-dichloroanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide | ||||||||
| Traditional Name | Not Available | ||||||||
| SMILES | CC1=C(C=CC=C1Cl)NC(=O)CSC2=NN=C(N2CC=C)CNC3=CC(=C(C=C3)Cl)Cl | ||||||||
| InChI Identifier | InChI=1S/C21H20Cl3N5OS/c1-3-9-29-19(11-25-14-7-8-16(23)17(24)10-14)27-28-21(29)31-12-20(30)26-18-6-4-5-15(22)13(18)2/h3-8,10,25H,1,9,11-12H2,2H3,(H,26,30) | ||||||||
| InChI Key | RYOMDYCEVSIJNF-UHFFFAOYSA-N | ||||||||
| Chemical Taxonomy | |||||||||
| Classification | Not classified | ||||||||
| Biological Properties | |||||||||
| Status | Detected and Not Quantified | ||||||||
| Origin | Not Available | ||||||||
| Cellular Locations | Not Available | ||||||||
| Biofluid Locations | Not Available | ||||||||
| Tissue Locations | Not Available | ||||||||
| Pathways | Not Available | ||||||||
| Applications | Not Available | ||||||||
| Biological Roles | Not Available | ||||||||
| Chemical Roles | Not Available | ||||||||
| Physical Properties | |||||||||
| State | Not Available | ||||||||
| Appearance | Not Available | ||||||||
| Experimental Properties |
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| Predicted Properties | Not Available | ||||||||
| Spectra | |||||||||
| Spectra |
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| Toxicity Profile | |||||||||
| Route of Exposure | Not Available | ||||||||
| Mechanism of Toxicity | Not Available | ||||||||
| Metabolism | Not Available | ||||||||
| Toxicity Values | Not Available | ||||||||
| Lethal Dose | Not Available | ||||||||
| Carcinogenicity (IARC Classification) | Not Available | ||||||||
| Uses/Sources | Not Available | ||||||||
| Minimum Risk Level | Not Available | ||||||||
| Health Effects | Not Available | ||||||||
| Symptoms | Not Available | ||||||||
| Treatment | Not Available | ||||||||
| Concentrations | |||||||||
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| Identifiers | Not Available | ||||||||
| References | |||||||||
| Synthesis Reference | Not Available | ||||||||
| MSDS | Not Available | ||||||||
| General References | Not Available | ||||||||
