586997-18-4
2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-FLUOROPHENYL)ACETAMIDE
Name2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-FLUOROPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-FLUOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04032177
【English Synonyms】
【Formula】
C16 H15 F N6 O S
【MolWeight】
358.4
【Inchi】
InChI=1S/C16H15FN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-5-3-11(17)4-6-12/h3-9H,2,10H2,1H3,(H,20,24)
【InChIKey】
InChIKey=GUUCUNPPWRANMU-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)F)c3cnccn3
【MOL File】
2-((4-ET-5-(2-PYRAZI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-FLUOROPHENYL)ACETAMIDE.cml