557072-76-1
N-(2,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(2,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(2,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD03856956
【English Synonyms】
【Formula】
C18 H20 N4 O S2
【MolWeight】
372.515
【Inchi】
InChI=1S/C18H20N4OS2/c1-4-22-17(14-9-6-10-24-14)20-21-18(22)25-11-15(23)19-16-12(2)7-5-8-13(16)3/h5-10H,4,11H2,1-3H3,(H,19,23)
【InChIKey】
InChIKey=HKXOJYHERRBNSI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cccc2C)C)c3cccs3
【MOL File】
N-(2,6-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(2,6-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml