575469-28-2
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H17 Br N4 O2 S
1Identification
【Name】
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04026235
【English Synonyms】
【Formula】
C17 H17 Br N4 O2 S
【MolWeight】
421.317
【Inchi】
InChI=1S/C17H17BrN4O2S/c1-3-22-16(14-5-4-8-24-14)20-21-17(22)25-10-15(23)19-13-7-6-11(2)9-12(13)18/h4-9H,3,10H2,1-2H3,(H,19,23)
【InChIKey】
InChIKey=QTZJLBLAFBVDNQ-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2Br)C)c3ccco3
【MOL File】
N-(2-BROMO-4-METHYLP….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2-BROMO-4-METHYLPHENYL)-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml