577963-14-5
N-(2,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC18 H20 N6 O S
1Identification
【Name】
N-(2,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04028786
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H20 N6 O S
【pro_molWeight】
368.463
【Inchi】
InChI=1S/C18H20N6OS/c1-4-24-17(15-10-19-7-8-20-15)22-23-18(24)26-11-16(25)21-14-9-12(2)5-6-13(14)3/h5-10H,4,11H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=ZXRUNCWCDDJIEN-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)C)c3cnccn3
【MOL File】
N-(2,5-DIMETHYLPHENY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:7
XLogP3:1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(2,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml