2-{[5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-YL)methylidene]acetohydrazide
Basic information
- CAS
303107-22-4- Standard SMILES
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(C)cc3)ccc21- InChIKey
GNFSZZHHEIYJCI-ALQBTCKLSA-N- Molecular formula
- C32H27ClN6OS
- Average molar mass
- 579.1 g/mol
- Monoisotopic mass
- 578.1655584
Names & identifiers
- Preferred name
- 2-{[5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-YL)methylidene]acetohydrazide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide
Names & synonyms
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]acetohydrazide2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE)ACETOHYDRAZIDERefChem:449506303107-22-4652-670-4STL071013AKOS001615750ST50063996(E)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((9-ethyl-9H-carbazol-3-yl)methylene)acetohydrazide2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]acetohydrazideN-[(1E)-2-(9-ethylcarbazol-3-yl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-(4-methyl phenyl)(1,2,4-triazol-3-ylthio)]acetamide
Database identifiers
- CAS
303107-22-4- PubChem CID
- 6867950
- EC Number
- 652-670-4
Properties
Computed structural properties
- XLogP
- 7.3
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 893
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]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (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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