573705-89-2
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(BENZYLOXY)PHENYL]ACETAMIDE
Name2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(BENZYLOXY)PHENYL]ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(BENZYLOXY)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018047
【English Synonyms】
【Formula】
C24 H22 N4 O2 S2
【MolWeight】
462.596
【Inchi】
InChI=1S/C24H22N4O2S2/c1-2-14-28-23(21-9-6-15-31-21)26-27-24(28)32-17-22(29)25-19-10-12-20(13-11-19)30-16-18-7-4-3-5-8-18/h2-13,15H,1,14,16-17H2,(H,25,29)
【InChIKey】
InChIKey=KKCQFBZPYZQXIN-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OCc3ccccc3)c4cccs4
【MOL File】
2-[[4-ALLYL-5-(2-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-[4-(BENZYLOXY)PHENYL]ACETAMIDE.cml