573972-48-2
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H17 Cl N4 O3 S
1Identification
【Name】
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023129
【English Synonyms】
【Formula】
C17 H17 Cl N4 O3 S
【MolWeight】
392.865
【Inchi】
InChI=1S/C17H17ClN4O3S/c1-3-22-16(14-5-4-8-25-14)20-21-17(22)26-10-15(23)19-11-6-7-13(24-2)12(18)9-11/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=GDMWHMNNTLYNOI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)OC)c3ccco3
【MOL File】
N-(3-CHLORO-4-METHOX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-4-METHOXYPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml