2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide
Basic information
- CAS
308096-14-2- Standard SMILES
CCn1c(SCC(=O)N/N=C/C=C/c2ccccc2)nnc1-c1ccc(OC)cc1- InChIKey
ATFZWVYSGPKNKK-ZREQCHBWSA-N- Molecular formula
- C22H23N5O2S
- Average molar mass
- 421.5 g/mol
- Monoisotopic mass
- 421.15724617
Names & identifiers
- Preferred name
- 2-{[4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E,2E)-3-phenyl-2-propenylidene]acetohydrazide
- IUPAC
- 2-[[4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Names & synonyms
308096-14-22-{[4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E,2E)-3-PHENYL-2-PROPENYLIDENE]ACETOHYDRAZIDE2-((4-ETHYL-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E,2E)-3-PHENYL-2-PROPENYLIDENE)ACETOHYDRAZIDERefChem:449205652-271-52-((4-Ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-phenylallylidene)acetohydrazideSTL362580AKOS022109578(E)-2-((4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide2-{[4-ethyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide
Database identifiers
- CAS
308096-14-2- PubChem CID
- 6887341
- EC Number
- 652-271-5
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 574
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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