562046-16-6
N-(3-CL-4-F-PH)-2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(3-CL-4-F-PH)-2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
FormulaC16 H14 Cl F N4 O S2
1Identification
【Name】
N-(3-CL-4-F-PH)-2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04011061
【English Synonyms】
【Formula】
C16 H14 Cl F N4 O S2
【MolWeight】
396.897
【Inchi】
InChI=1S/C16H14ClFN4OS2/c1-2-22-15(13-4-3-7-24-13)20-21-16(22)25-9-14(23)19-10-5-6-12(18)11(17)8-10/h3-8H,2,9H2,1H3,(H,19,23)
【InChIKey】
InChIKey=GSDJIJRLVNPRPA-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)Cl)F)c3cccs3
【MOL File】
N-(3-CL-4-F-PH)-2-((….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3-CL-4-F-PH)-2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml