562048-01-5
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04022296
【English Synonyms】
【Formula】
C18 H20 N4 O S2
【MolWeight】
372.515
【Inchi】
InChI=1S/C18H20N4OS2/c1-4-22-17(15-6-5-7-24-15)20-21-18(22)25-11-16(23)19-14-9-12(2)8-13(3)10-14/h5-10H,4,11H2,1-3H3,(H,19,23)
【InChIKey】
InChIKey=KBIPJRDFHKRGCC-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)C)C)c3cccs3
【MOL File】
N-(3,5-DIMETHYLPHENY….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-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml