2-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-ethoxyphenyl)ethanone
Basic information
- CAS
618880-61-8- Standard SMILES
CCOc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1- InChIKey
JLIFXXPTUDRPDK-UHFFFAOYSA-N- Molecular formula
- C25H22ClN3O3S
- Average molar mass
- 480 g/mol
- Monoisotopic mass
- 479.1070404
Names & identifiers
- Preferred name
- 2-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-ethoxyphenyl)ethanone
- IUPAC
- 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethoxyphenyl)ethanone
- English name
- SALOR-INT L415839-1EA
- Molecular formula
- C25H22ClN3O3S
- Molecular weight
- 479.98
Names & synonyms
618880-61-82-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-ethoxyphenyl)ethanone2-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-1-(4-ethoxyphenyl)ethanoneRefChem:448535637-526-0ZINC23516452-((4-(4-Chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-1-(4-ethoxyphenyl)ethanoneMFCD03223196STK599341ZINC02351645AKOS005519915ZINC000002351645
Show more names
SALOR-INT L415839-1EAEthanone, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-ethoxyphenyl)-2-([4-(4-CHLOROPHENYL)-5-(4-METHOXYPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(4-ETHOXYPHENYL)ETHANONE
ST504196422((4(4CHLOROPHENYL)5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)1(4ETHOXYPHENYL)ETHANONE2((4(4chlorophenyl)5(4methoxyphenyl)4H124triazol3yl)sulfanyl)1(4ethoxyphenyl)ethanone2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)THIO)1(4ETHOXYPHENYL)ETHANONE2(4(4CHLOROPHENYL)5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))1(4ETHOXYPHENYL)ETHAN1ONECCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC2((4(4CHLOROPHENYL)5(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)1(4ETHOXYPHENYL)ETHAN1ONE2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]-1-(4-ethoxy phenyl)ethan-1-one
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 606
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H413-H335
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H413-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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