N-(4-methoxyphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Basic information
- CAS
328020-60-6- Standard SMILES
C=CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1ccccc1- InChIKey
ZMFIZXVPZXATJL-UHFFFAOYSA-N- Molecular formula
- C20H20N4O2S
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.13069707
Names & identifiers
- Preferred name
- N-(4-methoxyphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
- IUPAC
- N-(4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Names & synonyms
N-(4-methoxyphenyl)-2-{[5-phenyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide328020-60-62-((4-ALLYL-5-PHENYL-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXYPHENYL)ACETAMIDESTK741789AKOS001113316ST50112939Z15809199N-(4-methoxyphenyl)-2-(5-phenyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))acetamid e
Database identifiers
- CAS
328020-60-6- PubChem CID
- 979050
- EC Number
- 114-648-8
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 94.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 479
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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