N'-[(E,2Z)-2-Bromo-3-phenyl-2-propenylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetohydrazide
Basic information
- CAS
307975-54-8- Standard SMILES
Cc1ccc(-n2c(SCC(=O)N/N=C/C(Br)=C/c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1- InChIKey
JVJDZSNLSLCVPH-ZGBFTUMVSA-N- Molecular formula
- C26H21BrClN5OS
- Average molar mass
- 566.9 g/mol
- Monoisotopic mass
- 565.03387
Names & identifiers
- Preferred name
- N'-[(E,2Z)-2-Bromo-3-phenyl-2-propenylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}acetohydrazide
- IUPAC
- N-[(E)-[(Z)-2-bromo-3-phenylprop-2-enylidene]amino]-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
- English name
- N'-[(1Z,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
- Molecular formula
- C26H21BrClN5OS
- Molecular weight
- 566.9
Names & synonyms
N'-[(E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE]-2-{[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDEN'-((E,2Z)-2-BROMO-3-PHENYL-2-PROPENYLIDENE)-2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETOHYDRAZIDERefChem:819940307975-54-8652-578-4(E)-N'-((Z)-2-bromo-3-phenylallylidene)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazideMFCD02077476STK010707AKOS001615877ZINC101387921ZINC000001796391O=C(CSc1nnc(n1c1ccc(cc1)C)c1ccc(cc1)Cl)NN=CC(=Cc1ccccc1)Br
Show more names
N'-[(1Z,2Z)-2-bromo-3-phenylprop-2-en-1-ylidene]-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide
CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC(=CC3=CC=CC=C3)Br)C4=CC=C(C=C4)Cl(E)N((Z)2bromo3phenylallylidene)2((5(4chlorophenyl)4(ptolyl)4H124triazol3yl)thio)acetohydrazideN((1E2Z)2BROMO3PHENYLPROP2EN1YLIDENE)2((5(4CHLOROPHENYL)4(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDEN((E)((Z)2BROMO3PHENYLPROP2ENYLIDENE)AMINO)2((5(4CHLOROPHENYL)4(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDEN(2BROMO3PHENYLALLYLIDENE)2((5(4CHLOROPHENYL)4(PTOLYL)4H124TRIAZOL3YL)THIO)ACETOHYDRAZIDE
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 97.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 733
Physicochemical properties
- Density
- 1.421 · 1.421±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.525 · 10.525±0.46(predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H413-H335-H315
- 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 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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H413-H335-H315
- 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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