578720-61-3
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-(ACETYLAMINO)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC19 H20 N6 O2 S
1Identification
【Name】
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04029639
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C19 H20 N6 O2 S
【pro_molWeight】
396.473
【Inchi】
InChI=1S/C19H20N6O2S/c1-3-25-18(16-6-4-5-11-20-16)23-24-19(25)28-12-17(27)22-15-9-7-14(8-10-15)21-13(2)26/h4-11H,3,12H2,1-2H3,(H,21,26)(H,22,27)
【InChIKey】
InChIKey=KGSWNCGQAWMTIC-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)NC(=O)C)c3ccccn3
【MOL File】
N-[4-(ACETYLAMINO)PH….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:2
pro_acceptors:8
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-[4-(ACETYLAMINO)PHENYL]-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml