618413-02-8
2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHYLPHENYL)ACETAMIDE
Name2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03724230
【English Synonyms】
【Formula】
C17 H18 N4 O2 S
【MolWeight】
342.421
【Inchi】
InChI=1S/C17H18N4O2S/c1-3-21-16(14-5-4-10-23-14)19-20-17(21)24-11-15(22)18-13-8-6-12(2)7-9-13/h4-10H,3,11H2,1-2H3,(H,18,22)
【InChIKey】
InChIKey=RXSBDDDTKFKNJT-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)C)c3ccco3
【MOL File】
2-((4-ETHYL-5-(2-FUR….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-FURYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHYLPHENYL)ACETAMIDE.cml