578748-95-5
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,4,6-TRIBROMOPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,4,6-TRIBROMOPHENYL)ACETAMIDE
FormulaC17 H14 Br3 N5 O S
1Identification
【Name】
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,4,6-TRIBROMOPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04024623
【English Synonyms】
【Formula】
C17 H14 Br3 N5 O S
【MolWeight】
576.11
【Inchi】
InChI=1S/C17H14Br3N5OS/c1-2-25-16(10-3-5-21-6-4-10)23-24-17(25)27-9-14(26)22-15-12(19)7-11(18)8-13(15)20/h3-8H,2,9H2,1H3,(H,22,26)
【InChIKey】
InChIKey=BCSTYEMUTYLUAB-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2Br)Br)Br)c3ccncc3
【MOL File】
2-[[4-ETHYL-5-(4-PYR….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
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,4,6-TRIBROMOPHENYL)ACETAMIDE.cml