539808-51-0
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
Name2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460670
【English Synonyms】
【Formula】
C30 H26 N4 O2 S2
【MolWeight】
538.693
【Inchi】
InChI=1S/C30H26N4O2S2/c1-22-12-18-27(19-13-22)37-20-28-32-33-30(34(28)24-8-4-2-5-9-24)38-21-29(35)31-23-14-16-26(17-15-23)36-25-10-6-3-7-11-25/h2-19H,20-21H2,1H3,(H,31,35)
【InChIKey】
InChIKey=QNYAVPJIHRSGQD-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3ccccc3)SCC(=O)Nc4ccc(cc4)Oc5ccccc5
【MOL File】
2-[(5-[[(4-METHYLPHE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-PHENOXYPHENYL)ACETAMIDE.cml