575467-06-0
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
Name2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03821851
【English Synonyms】
【Formula】
C18 H19 N5 O2 S
【MolWeight】
369.447
【Inchi】
InChI=1S/C18H19N5O2S/c1-3-23-17(13-7-9-19-10-8-13)21-22-18(23)26-12-16(24)20-14-5-4-6-15(11-14)25-2/h4-11H,3,12H2,1-2H3,(H,20,24)
【InChIKey】
InChIKey=BOZOVIGZSUWCFI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2)OC)c3ccncc3
【MOL File】
2-[[4-ETHYL-5-(4-PYR….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
2-[[4-ETHYL-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(3-METHOXYPHENYL)ACETAMIDE.cml