577983-85-8
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04022000
【English Synonyms】
【Formula】
C19 H21 N5 O S
【MolWeight】
367.475
【Inchi】
InChI=1S/C19H21N5OS/c1-4-24-18(16-7-5-6-8-20-16)22-23-19(24)26-12-17(25)21-15-10-13(2)9-14(3)11-15/h5-11H,4,12H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=GOPLQZUFVUAZGH-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)C)C)c3ccccn3
【MOL File】
N-(3,5-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml