142529-68-8
2-((4-ET-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXY-PH)ACETAMIDE
Name2-((4-ET-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXY-PH)ACETAMIDE
1Identification
【Name】
2-((4-ET-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXY-PH)ACETAMIDE
【CAS】
【MDL】
MFCD02230336
【English Synonyms】
【Formula】
C18 H19 N5 O2 S
【MolWeight】
369.447
【Inchi】
InChI=1S/C18H19N5O2S/c1-3-23-17(13-5-4-10-19-11-13)21-22-18(23)26-12-16(24)20-14-6-8-15(25-2)9-7-14/h4-11H,3,12H2,1-2H3,(H,20,24)
【InChIKey】
InChIKey=YDLYFVYQQFSWOH-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2ccc(cc2)OC)c3cccnc3
【MOL File】
2-((4-ET-5-(3-PYRIDI….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-ET-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-METHOXY-PH)ACETAMIDE.cml