577983-65-4
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
pro_formulaC19 H19 N5 O S
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04021714
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H19 N5 O S
【pro_molWeight】
365.459
【Inchi】
InChI=1S/C19H19N5OS/c1-3-12-24-18(16-6-4-5-11-20-16)22-23-19(24)26-13-17(25)21-15-9-7-14(2)8-10-15/h3-11H,1,12-13H2,2H3,(H,21,25)
【InChIKey】
InChIKey=IBIOBGZIZACDOT-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccn3
【MOL File】
2-[[4-ALLYL-5-(2-PYR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(4-METHYLPHENYL)ACETAMIDE.cml