577770-61-7
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC20 H23 N5 O S
1Identification
【Name】
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04019395
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C20 H23 N5 O S
【pro_molWeight】
381.502
【Inchi】
InChI=1S/C20H23N5OS/c1-4-15-10-8-9-14(3)18(15)22-17(26)13-27-20-24-23-19(25(20)5-2)16-11-6-7-12-21-16/h6-12H,4-5,13H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=CUKRGZIRQUHIKO-UHFFFAOYSA-N
【SMILES】
CCc1cccc(c1NC(=O)CSc2nnc(n2CC)c3ccccn3)C
【MOL File】
N-(2-ETHYL-6-METHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2-ETHYL-6-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml