477332-91-5
2-[[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-ETHYLPHENYL)ACETAMIDE
Name2-[[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-ETHYLPHENYL)ACETAMIDE
pro_formulaC25 H23 Cl N4 O S
1Identification
【Name】
2-[[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-ETHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03223633
【EnglishSynonyms】
【pro_formula】
C25 H23 Cl N4 O S
【pro_molWeight】
463.003
【Inchi】
InChI=1S/C25H23ClN4OS/c1-3-18-6-4-5-7-22(18)27-23(31)16-32-25-29-28-24(19-10-12-20(26)13-11-19)30(25)21-14-8-17(2)9-15-21/h4-15H,3,16H2,1-2H3,(H,27,31)
【InChIKey】
InChIKey=AZUAZWWMMPUQHO-UHFFFAOYSA-N
【SMILES】
CCc1ccccc1NC(=O)CSc2nnc(n2c3ccc(cc3)C)c4ccc(cc4)Cl
【MOL File】
2-[[5-(4-CHLOROPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:5
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-ETHYLPHENYL)ACETAMIDE.cml