2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulf anyl)-N'-((3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
Basic information
- CAS
330838-60-3- Standard SMILES
C=C(C)Cn1c(SCC(=O)N=Nc2c(O)[nH]c3ccccc23)nnc1-c1ccc(Br)cc1- InChIKey
DQLMBSFJXDZLGU-UHFFFAOYSA-N- Molecular formula
- C22H19BrN6O2S
- Average molar mass
- 511.4 g/mol
- Monoisotopic mass
- 510.04736
Names & identifiers
- Preferred name
- 2-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulf anyl)-N'-((3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide
- IUPAC
- 2-[[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(2-hydroxy-1H-indol-3-yl)imino]acetamide
- English name
- SALOR-INT L248908-1EA
- Molecular formula
- C22H19BrN6O2S
- Molecular weight
- 511.39
Names & synonyms
330838-60-32-((5-(4-Bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-YL)sulf anyl)-N'-((3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide2-{[5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULF ANYL}-N'-[(3E)-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE]ACETOHYDRAZIDERefChem:449432650-832-9MFCD01841533AKOS001484053AKOS0243198382-((5-(4-Bromophenyl)-4-(2-methylallyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2-oxoindolin-3-ylidene)acetohydrazideST504207122-[5-(4-bromophenyl)-4-(2-methylprop-2-enyl)(1,2,4-triazol-3-ylthio)]-N-[(2-ox o(1H-benzo[d]azolin-3-ylidene))azamethyl]acetamide2-{[5-(4-bromophenyl)-4-(2-methyl-2-propenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(3E)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]acetohydrazide
Show more names
SALOR-INT L248908-1EA2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(3E)-2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE]ACETOHYDRAZIDE
2-{[5-(4-bromophenyl)-4-(2-methylprop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)acetohydrazide2-{[5-(4-BROMOPHENYL)-4-(2-METHYLPROP-2-EN-1-YL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(3E)-2-OXO-2,3-DIHYDRO-1H-INDOL-3-YLIDENE]ACETOHYDRAZIDE
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 704
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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 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
- H315-H319-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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