577769-92-7
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC18 H19 Cl N4 O S2
1Identification
【Name】
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04019329
【English Synonyms】
【Formula】
C18 H19 Cl N4 O S2
【MolWeight】
406.96
【Inchi】
InChI=1S/C18H19ClN4OS2/c1-4-23-17(14-6-5-7-25-14)21-22-18(23)26-10-15(24)20-16-12(3)8-11(2)9-13(16)19/h5-9H,4,10H2,1-3H3,(H,20,24)
【InChIKey】
InChIKey=LZMPGLVPMCTNMH-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Cl)C)C)c3cccs3
【MOL File】
N-(2-CHLORO-4,6-DIME….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-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml