577694-40-7
2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
Name2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
1Identification
【Name】
2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
【CAS】
【MDL】
MFCD04027489
【English Synonyms】
【Formula】
C20 H23 N5 O S
【MolWeight】
381.502
【Inchi】
InChI=1S/C20H23N5OS/c1-5-25-19(16-8-6-7-9-21-16)23-24-20(25)27-12-17(26)22-18-14(3)10-13(2)11-15(18)4/h6-11H,5,12H2,1-4H3,(H,22,26)
【InChIKey】
InChIKey=KZKTVANBSQEJLN-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)c3ccccn3
【MOL File】
2-((4-ETHYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ETHYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE.cml