578001-72-6
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
Name2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE
【CAS】
【MDL】
MFCD04022884
【English Synonyms】
【Formula】
C24 H21 N5 O3 S
【MolWeight】
459.528
【Inchi】
InChI=1S/C24H21N5O3S/c1-3-29-23(15-8-10-25-11-9-15)27-28-24(29)33-14-22(30)26-18-13-20-17(12-21(18)31-2)16-6-4-5-7-19(16)32-20/h4-13H,3,14H2,1-2H3,(H,26,30)
【InChIKey】
InChIKey=IFQGFQASHUIWOW-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc3c(cc2OC)c4ccccc4o3)c5ccncc5
【MOL File】
2-[[4-ETHYL-5-(4-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(2-METHOXY-3-DIBENZOFURANYL)-ACETAMIDE.cml