585551-40-2
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04029985
【English Synonyms】
【Formula】
C18 H19 Cl N6 O S
【MolWeight】
402.908
【Inchi】
InChI=1S/C18H19ClN6OS/c1-4-25-17(14-9-20-5-6-21-14)23-24-18(25)27-10-15(26)22-16-12(3)7-11(2)8-13(16)19/h5-9H,4,10H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=MJCXIEMJGOMDLE-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Cl)C)C)c3cnccn3
【MOL File】
N-(2-CHLORO-4,6-DIME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-CHLORO-4,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml