578003-17-5
2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04023649
【English Synonyms】
【Formula】
C17 H18 N6 O2 S
【MolWeight】
370.435
【Inchi】
InChI=1S/C17H18N6O2S/c1-3-23-16(13-10-18-8-9-19-13)21-22-17(23)26-11-15(24)20-12-6-4-5-7-14(12)25-2/h4-10H,3,11H2,1-2H3,(H,20,24)
【InChIKey】
InChIKey=VXTGXRASPZPUCN-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccccc2OC)c3cnccn3
【MOL File】
2-[[4-ETHYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ETHYL-5-(2-PYRAZINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2-METHOXYPHENYL)ACETAMIDE.cml