577766-17-7
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC18 H14 F6 N4 O2 S
1Identification
【Name】
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04018882
【English Synonyms】
【Formula】
C18 H14 F6 N4 O2 S
【MolWeight】
464.389
【Inchi】
InChI=1S/C18H14F6N4O2S/c1-2-28-15(13-4-3-5-30-13)26-27-16(28)31-9-14(29)25-12-7-10(17(19,20)21)6-11(8-12)18(22,23)24/h3-8H,2,9H2,1H3,(H,25,29)
【InChIKey】
InChIKey=KDHFMWHIFZUNCT-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c3ccco3
【MOL File】
N-[3,5-BIS(TRIFLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-FURYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml