578005-94-4
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04023895
【English Synonyms】
【Formula】
C18 H18 F N5 O S
【MolWeight】
371.438
【Inchi】
InChI=1S/C18H18FN5OS/c1-3-24-17(15-6-4-5-9-20-15)22-23-18(24)26-11-16(25)21-13-8-7-12(2)14(19)10-13/h4-10H,3,11H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=RWSYSUAYXXNVJK-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)C)c3ccccn3
【MOL File】
2-[[4-ETHYL-5-(2-PYR….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
2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-FLUORO-4-METHYLPHENYL)ACETAMIDE.cml