538337-26-7
2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
Name2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
pro_formulaC25 H21 F3 N4 O S2
1Identification
【Name】
2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE
【CAS】
【MDL】
MFCD03129731
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H21 F3 N4 O S2
【pro_molWeight】
514.594
【Inchi】
InChI=1S/C25H21F3N4OS2/c1-17-8-7-9-18(14-17)32-22(15-34-19-10-3-2-4-11-19)30-31-24(32)35-16-23(33)29-21-13-6-5-12-20(21)25(26,27)28/h2-14H,15-16H2,1H3,(H,29,33)
【InChIKey】
InChIKey=UEMIWXNKJNRQFI-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)n2c(nnc2SCC(=O)Nc3ccccc3C(F)(F)F)CSc4ccccc4
【MOL File】
2-([4-(3-METHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-([4-(3-METHYLPHENYL)-5-[(PHENYLSULFANYL)METHYL]-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[2-(TRIFLUOROMETHYL)PHENYL]ACETAMIDE.cml