585562-20-5
2-((4-ET-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-F-4-METHYLPHENYL)ACETAMIDE
Name2-((4-ET-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-F-4-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ET-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-F-4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04030404
【English Synonyms】
【Formula】
C17 H17 F N4 O2 S
【MolWeight】
360.411
【Inchi】
InChI=1S/C17H17FN4O2S/c1-3-22-16(14-5-4-8-24-14)20-21-17(22)25-10-15(23)19-12-7-6-11(2)13(18)9-12/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=BFSBFYPAUVOCNP-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)F)C)c3ccco3
【MOL File】
2-((4-ET-5-(2-FURYL)….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-ET-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-F-4-METHYLPHENYL)ACETAMIDE.cml