539809-06-8
N-MESITYL-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
NameN-MESITYL-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
pro_formulaC27 H28 N4 O S2
1Identification
【Name】
N-MESITYL-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03460721
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C27 H28 N4 O S2
【pro_molWeight】
488.677
【Inchi】
InChI=1S/C27H28N4OS2/c1-18-10-12-23(13-11-18)33-16-24-29-30-27(31(24)22-8-6-5-7-9-22)34-17-25(32)28-26-20(3)14-19(2)15-21(26)4/h5-15H,16-17H2,1-4H3,(H,28,32)
【InChIKey】
InChIKey=LEIZVFAUROCMDV-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)SCc2nnc(n2c3ccccc3)SCC(=O)Nc4c(cc(cc4C)C)C
【MOL File】
N-MESITYL-2-[(5-[[(4….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-MESITYL-2-[(5-[[(4-METHYLPHENYL)SULFANYL]METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE.cml