577997-33-2
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-FLUOROPHENYL)ACETAMIDE
Name2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-FLUOROPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-FLUOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04022601
【English Synonyms】
【Formula】
C17 H16 F N5 O S
【MolWeight】
357.411
【Inchi】
InChI=1S/C17H16FN5OS/c1-2-23-16(12-6-8-19-9-7-12)21-22-17(23)25-11-15(24)20-14-5-3-4-13(18)10-14/h3-10H,2,11H2,1H3,(H,20,24)
【InChIKey】
InChIKey=NFWYUAMSLXVOSV-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2)F)c3ccncc3
【MOL File】
2-((4-ET-5-(4-PYRIDI….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
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-FLUOROPHENYL)ACETAMIDE.cml