566188-43-0
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
FormulaC17 H14 Cl F3 N4 O S2
1Identification
【Name】
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04014993
【English Synonyms】
【Formula】
C17 H14 Cl F3 N4 O S2
【MolWeight】
446.904
【Inchi】
InChI=1S/C17H14ClF3N4OS2/c1-2-25-15(13-4-3-7-27-13)23-24-16(25)28-9-14(26)22-10-5-6-12(18)11(8-10)17(19,20)21/h3-8H,2,9H2,1H3,(H,22,26)
【InChIKey】
InChIKey=VNGFICMAVCWLGG-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl)c3cccs3
【MOL File】
N-[4-CHLORO-3-(TRIFL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml