562088-83-9
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC17 H17 Br N4 O S2
1Identification
【Name】
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028796
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Br N4 O S2
【pro_molWeight】
437.384
【Inchi】
InChI=1S/C17H17BrN4OS2/c1-3-22-16(14-5-4-8-24-14)20-21-17(22)25-10-15(23)19-13-7-6-11(2)9-12(13)18/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=MTKLJIWPWJYPFR-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2Br)C)c3cccs3
【MOL File】
N-(2-BROMO-4-METHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml