573949-92-5
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
Name2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
1Identification
【Name】
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
【CAS】
【MDL】
MFCD04021324
【English Synonyms】
【Formula】
C21 H23 N5 O S
【MolWeight】
393.513
【Inchi】
InChI=1S/C21H23N5OS/c1-5-10-26-20(17-8-6-7-9-22-17)24-25-21(26)28-13-18(27)23-19-15(3)11-14(2)12-16(19)4/h5-9,11-12H,1,10,13H2,2-4H3,(H,23,27)
【InChIKey】
InChIKey=KSXQOGOVNQRSGW-UHFFFAOYSA-N
【SMILES】
Cc1cc(c(c(c1)C)NC(=O)CSc2nnc(n2CC=C)c3ccccn3)C
【MOL File】
2-((4-ALLYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE.cml