573973-11-2
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(4-BROMO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
pro_formulaC18 H18 Br N5 O S
1Identification
【Name】
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04023191
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H18 Br N5 O S
【pro_molWeight】
432.344
【Inchi】
InChI=1S/C18H18BrN5OS/c1-3-24-17(13-6-8-20-9-7-13)22-23-18(24)26-11-16(25)21-15-5-4-14(19)10-12(15)2/h4-10H,3,11H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=YGSUKVHRWSQYJS-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2C)Br)c3ccncc3
【MOL File】
N-(4-BROMO-2-METHYLP….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:3.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N-(4-BROMO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml