573695-32-6
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04017630
【English Synonyms】
【Formula】
C18 H20 N6 O S
【MolWeight】
368.463
【Inchi】
InChI=1S/C18H20N6OS/c1-4-24-17(15-10-19-5-6-20-15)22-23-18(24)26-11-16(25)21-14-8-12(2)7-13(3)9-14/h5-10H,4,11H2,1-3H3,(H,21,25)
【InChIKey】
InChIKey=GSMZYFGXILXEPM-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(cc(c2)C)C)c3cnccn3
【MOL File】
N-(3,5-DIMETHYLPHENY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-(3,5-DIMETHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml