578759-53-2
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC25 H24 N6 O S
1Identification
【Name】
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04024951
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C25 H24 N6 O S
【pro_molWeight】
456.572
【Inchi】
InChI=1S/C25H24N6OS/c1-3-30-21-11-6-5-9-18(21)19-15-17(12-13-22(19)30)27-23(32)16-33-25-29-28-24(31(25)4-2)20-10-7-8-14-26-20/h5-15H,3-4,16H2,1-2H3,(H,27,32)
【InChIKey】
InChIKey=YJSQQZJSDCHXMA-UHFFFAOYSA-N
【SMILES】
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSc4nnc(n4CC)c5ccccn5
【MOL File】
N-(9-ETHYL-9H-CARBAZ….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:4.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(9-ETHYL-9H-CARBAZOL-3-YL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml