539811-17-1
N-(4-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-(4-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
1Identification
【Name】
N-(4-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03765068
【English Synonyms】
【Formula】
C26 H26 N4 O S2
【MolWeight】
474.65
【Inchi】
InChI=1S/C26H26N4OS2/c1-18-7-11-21(12-8-18)27-25(31)17-33-26-29-28-24(16-32-23-13-9-19(2)10-14-23)30(26)22-6-4-5-20(3)15-22/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=MZCTYVRAVDPQOY-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2c3cccc(c3)C)CSc4ccc(cc4)C
【MOL File】
N-(4-METHYLPHENYL)-2….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(4-METHYLPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml