482639-67-8
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
Name2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
pro_formulaC18 H19 N5 O S
1Identification
【Name】
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD02227085
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H19 N5 O S
【pro_molWeight】
353.448
【Inchi】
InChI=1S/C18H19N5OS/c1-3-23-17(14-7-9-19-10-8-14)21-22-18(23)25-12-16(24)20-15-6-4-5-13(2)11-15/h4-11H,3,12H2,1-2H3,(H,20,24)
【InChIKey】
InChIKey=AWBGWHBRQIUDKB-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C)c3ccncc3
【MOL File】
2-((4-ET-5-(4-PYRIDI….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE.cml