585549-43-5
N-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
NameN-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
1Identification
【Name】
N-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE
【CAS】
【MDL】
MFCD04027952
【English Synonyms】
【Formula】
C17 H17 Cl N6 O S
【MolWeight】
388.881
【Inchi】
InChI=1S/C17H17ClN6OS/c1-3-24-16(14-9-19-6-7-20-14)22-23-17(24)26-10-15(25)21-13-8-12(18)5-4-11(13)2/h4-9H,3,10H2,1-2H3,(H,21,25)
【InChIKey】
InChIKey=NKRYNECRXBCQKD-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cc(ccc2C)Cl)c3cnccn3
【MOL File】
N-(5-CHLORO-2-METHYL….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-(5-CHLORO-2-METHYLPHENYL)-2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]ACETAMIDE.cml