578723-85-0
N-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04029884
【English Synonyms】
【Formula】
C18 H20 N6 O S
【MolWeight】
368.463
【Inchi】
InChI=1S/C18H20N6OS/c1-3-13-5-7-14(8-6-13)21-16(25)12-26-18-23-22-17(24(18)4-2)15-11-19-9-10-20-15/h5-11H,3-4,12H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=XMZPROHPFVDGKD-UHFFFAOYSA-N
【SMILES】
CCc1ccc(cc1)NC(=O)CSc2nnc(n2CC)c3cnccn3
【MOL File】
N-(4-ETHYLPHENYL)-2-….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-(4-ETHYLPHENYL)-2-((4-ET-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml