539811-09-1
N-(3-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-(3-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
pro_formulaC26 H26 N4 O2 S2
1Identification
【Name】
N-(3-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03765066
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C26 H26 N4 O2 S2
【pro_molWeight】
490.649
【Inchi】
InChI=1S/C26H26N4O2S2/c1-18-10-12-23(13-11-18)33-16-24-28-29-26(30(24)21-8-4-6-19(2)14-21)34-17-25(31)27-20-7-5-9-22(15-20)32-3/h4-15H,16-17H2,1-3H3,(H,27,31)
【InChIKey】
InChIKey=GUXKAWFGTPPZBK-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3cccc(c3)C)SCC(=O)Nc4cccc(c4)OC
【MOL File】
N-(3-METHOXYPHENYL)-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(3-METHOXYPHENYL)-2-[(4-(3-METHYLPHENYL)-5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml