Basic information
- CAS
303103-40-4- Standard SMILES
CCOc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1- InChIKey
QOKDQBBAMZPJIC-JVWAILMASA-N- Molecular formula
- C25H22BrN5O2S
- Average molar mass
- 536.4 g/mol
- Monoisotopic mass
- 535.06776
Names & identifiers
- Preferred name
- 2-{[5-(4-Bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-ethoxyphenyl)methylideneamino]acetamide
Names & synonyms
2-{[5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethoxyphenyl)methylidene]acetohydrazide2-((5-(4-BROMOPHENYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(4-ETHOXYPHENYL)METHYLIDENE)ACETOHYDRAZIDERefChem:449478303103-40-4652-208-1STL362623AKOS001615617ST50064205(E)-2-((5-(4-bromophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxybenzylidene)acetohydrazideN-[(1E)-2-(4-ethoxyphenyl)-1-azavinyl]-2-[5-(4-bromophenyl)-4-phenyl(1,2,4-tri azol-3-ylthio)]acetamide
Database identifiers
- CAS
303103-40-4- PubChem CID
- 6881997
- EC Number
- 652-208-1
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 649
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)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
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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