578753-06-7
2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04024370
【English Synonyms】
【Formula】
C22 H20 N6 O2 S
【MolWeight】
432.506
【Inchi】
InChI=1S/C22H20N6O2S/c1-2-28-21(19-14-23-12-13-24-19)26-27-22(28)31-15-20(29)25-16-8-10-18(11-9-16)30-17-6-4-3-5-7-17/h3-14H,2,15H2,1H3,(H,25,29)
【InChIKey】
InChIKey=UEYWCNCBVDXJKO-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Oc3ccccc3)c4cnccn4
【MOL File】
2-[[4-ETHYL-5-(2-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-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE.cml