578757-57-0
2((4-ALLYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2-MEO-5-ME-PH)ACETAMIDE
Name2((4-ALLYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2-MEO-5-ME-PH)ACETAMIDE
1Identification
【Name】
2((4-ALLYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2-MEO-5-ME-PH)ACETAMIDE
【CAS】
【MDL】
MFCD04024881
【English Synonyms】
【Formula】
C20 H21 N5 O2 S
【MolWeight】
395.485
【Inchi】
InChI=1S/C20H21N5O2S/c1-4-10-25-19(15-6-5-9-21-12-15)23-24-20(25)28-13-18(26)22-16-11-14(2)7-8-17(16)27-3/h4-9,11-12H,1,10,13H2,2-3H3,(H,22,26)
【InChIKey】
InChIKey=UGDXZCYCPHJSEX-UHFFFAOYSA-N
【SMILES】
Cc1ccc(c(c1)NC(=O)CSc2nnc(n2CC=C)c3cccnc3)OC
【MOL File】
2((4-ALLYL-5-(3-PYRI….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-ALLYL-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)N-(2-MEO-5-ME-PH)ACETAMIDE.cml