573945-54-7
N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC18 H19 Cl N6 O2 S
1Identification
【Name】
N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04020927
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H19 Cl N6 O2 S
【pro_molWeight】
418.907
【Inchi】
InChI=1S/C18H19ClN6O2S/c1-4-25-17(14-9-20-5-6-21-14)23-24-18(25)28-10-16(26)22-13-7-11(2)12(19)8-15(13)27-3/h5-9H,4,10H2,1-3H3,(H,22,26)
【InChIKey】
InChIKey=MPHCXBANKWIGIK-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(c(cc2OC)Cl)C)c3cnccn3
【MOL File】
N-(4-CHLORO-2-METHOX….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:8
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(4-CHLORO-2-METHOXY-5-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml