562805-11-2
N-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC17 H17 Cl N4 O S2
1Identification
【Name】
N-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04017648
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C17 H17 Cl N4 O S2
【pro_molWeight】
392.933
【Inchi】
InChI=1S/C17H17ClN4OS2/c1-3-22-16(14-5-4-8-24-14)20-21-17(22)25-10-15(23)19-13-9-12(18)7-6-11(13)2/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=WDMIEUFENWHBFS-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)Cl)c3cccs3
【MOL File】
N-(5-CHLORO-2-METHYL….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml