578736-90-0
N-(4-CL-PH)-2-((4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
NameN-(4-CL-PH)-2-((4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
1Identification
【Name】
N-(4-CL-PH)-2-((4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE
【CAS】
【MDL】
MFCD04031882
【English Synonyms】
【Formula】
C16 H15 Cl N6 O S
【MolWeight】
374.854
【Inchi】
InChI=1S/C16H15ClN6OS/c1-2-23-15(13-9-18-7-8-19-13)21-22-16(23)25-10-14(24)20-12-5-3-11(17)4-6-12/h3-9H,2,10H2,1H3,(H,20,24)
【InChIKey】
InChIKey=KRADHVSWAULDJI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)Cl)c3cnccn3
【MOL File】
N-(4-CL-PH)-2-((4-ET….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-CL-PH)-2-((4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE.cml