562829-68-9
N-(3-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H17 Cl N4 O S2
1Identification
【Name】
N-(3-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04010781
【English Synonyms】
【Formula】
C17 H17 Cl N4 O S2
【MolWeight】
392.933
【Inchi】
InChI=1S/C17H17ClN4OS2/c1-3-22-16(14-8-5-9-24-14)20-21-17(22)25-10-15(23)19-13-7-4-6-12(18)11(13)2/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=ZBUFPJZGTZNJQY-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2C)Cl)c3cccs3
【MOL File】
N-(3-CHLORO-2-METHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml