539809-74-0
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
Name2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
pro_formulaC25 H24 Cl N5 O S
1Identification
【Name】
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03460818
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H24 Cl N5 O S
【pro_molWeight】
478.018
【Inchi】
InChI=1S/C25H24ClN5OS/c1-17-11-13-19(14-12-17)28-24(32)16-33-25-30-29-23(31(25)20-7-4-3-5-8-20)15-27-22-10-6-9-21(26)18(22)2/h3-14,27H,15-16H2,1-2H3,(H,28,32)
【InChIKey】
InChIKey=XZQKZJPSRBMNSE-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2c3ccccc3)CNc4cccc(c4C)Cl
【MOL File】
2-([5-[(3-CHLORO-2-M….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-([5-[(3-CHLORO-2-METHYLANILINO)METHYL]-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-(4-METHYLPHENYL)ACETAMIDE.cml