577764-59-1
ME 4-((((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)BENZOATE
Name
ME 4-((((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)BENZOATE
Formula
C20 H19 N5 O3 S
MolWeight
409.468
1Identification
【Name】
ME 4-((((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)BENZOATE
【CAS】
【MDL】
MFCD04018954
【English Synonyms】
【Formula】
C20 H19 N5 O3 S
【MolWeight】
409.468
【Inchi】
InChI=1S/C20H19N5O3S/c1-3-12-25-18(16-6-4-5-11-21-16)23-24-20(25)29-13-17(26)22-15-9-7-14(8-10-15)19(27)28-2/h3-11H,1,12-13H2,2H3,(H,22,26)
【InChIKey】
InChIKey=KANWWIWRRVYHSE-UHFFFAOYSA-N
【SMILES】
COC(=O)c1ccc(cc1)NC(=O)CSc2nnc(n2CC=C)c3ccccn3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
ME 4-((((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)BENZOATE.cml
Quick Release
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Catalog No:L415030-1EA 10MG
Country/Region:United States
Business Type:Reagent Company
http://www.sigma-aldrich.com
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