650592-53-3
2-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-1-PHENYLETHAN-1-ONE
Name2-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-1-PHENYLETHAN-1-ONE
FormulaC14 H10 Cl2 N4 O2 S
1Identification
【Name】
2-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-1-PHENYLETHAN-1-ONE
【CAS】
【MDL】
MFCD00097811
【English Synonyms】
【Formula】
C14 H10 Cl2 N4 O2 S
【MolWeight】
369.231
【Inchi】
InChI=1S/C14H10Cl2N4O2S/c15-12-13(16)20(8-17-12)6-11-18-19-14(22-11)23-7-10(21)9-4-2-1-3-5-9/h1-5,8H,6-7H2
【InChIKey】
InChIKey=XSZCCRCNZZIUBL-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)C(=O)CSc2nnc(o2)Cn3cnc(c3Cl)Cl
【MOL File】
2-((5-[(4,5-DICHLORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((5-[(4,5-DICHLORO-1H-IMIDAZOL-1-YL)METHYL]-1,3,4-OXADIAZOL-2-YL)THIO)-1-PHENYLETHAN-1-ONE.cml