539808-69-0
2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
Name2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
1Identification
【Name】
2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE
【CAS】
【MDL】
MFCD03460695
【English Synonyms】
【Formula】
C24 H22 N4 O3 S
【MolWeight】
446.529
【Inchi】
InChI=1S/C24H22N4O3S/c1-30-20-14-12-19(13-15-20)28-22(16-31-21-10-6-3-7-11-21)26-27-24(28)32-17-23(29)25-18-8-4-2-5-9-18/h2-15H,16-17H2,1H3,(H,25,29)
【InChIKey】
InChIKey=OOINDJYQRUMGGA-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3ccccc3)COc4ccccc4
【MOL File】
2-[[4-(4-METHOXYPHEN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-PHENYLACETAMIDE.cml