526192-91-6
N-(3,4-DICHLOROPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,4-DICHLOROPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H15 Cl2 N5 O S
1Identification
【Name】
N-(3,4-DICHLOROPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03613051
【English Synonyms】
【Formula】
C17 H15 Cl2 N5 O S
【MolWeight】
408.311
【Inchi】
InChI=1S/C17H15Cl2N5OS/c1-2-24-16(11-4-3-7-20-9-11)22-23-17(24)26-10-15(25)21-12-5-6-13(18)14(19)8-12/h3-9H,2,10H2,1H3,(H,21,25)
【InChIKey】
InChIKey=ROYYQSFNRAPFQM-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)Cl)c3cccnc3
【MOL File】
N-(3,4-DICHLOROPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,4-DICHLOROPHENYL)-2-[[4-ETHYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml