539808-32-7
2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
Name2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
1Identification
【Name】
2-[[4-(4-METHOXYPHENYL)-5-(PHENOXYMETHYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460643
【English Synonyms】
【Formula】
C28 H24 N4 O3 S
【MolWeight】
496.589
【Inchi】
InChI=1S/C28H24N4O3S/c1-34-22-16-14-21(15-17-22)32-26(18-35-23-10-3-2-4-11-23)30-31-28(32)36-19-27(33)29-25-13-7-9-20-8-5-6-12-24(20)25/h2-17H,18-19H2,1H3,(H,29,33)
【InChIKey】
InChIKey=UTULGOCILWLLFL-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)n2c(nnc2SCC(=O)Nc3cccc4c3cccc4)COc5ccccc5
【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-(1-NAPHTHYL)ACETAMIDE.cml