577765-20-9
N-(2,5-DICHLOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,5-DICHLOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H15 Cl2 N5 O S
1Identification
【Name】
N-(2,5-DICHLOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018985
【English Synonyms】
【Formula】
C17 H15 Cl2 N5 O S
【MolWeight】
408.311
【Inchi】
InChI=1S/C17H15Cl2N5OS/c1-2-24-16(13-5-3-4-8-20-13)22-23-17(24)26-10-15(25)21-14-9-11(18)6-7-12(14)19/h3-9H,2,10H2,1H3,(H,21,25)
【InChIKey】
InChIKey=YNYWIBXYFDRGGL-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)Cl)c3ccccn3
【MOL File】
N-(2,5-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,5-DICHLOROPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml