556804-75-2
2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
Name2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
1Identification
【Name】
2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE
【CAS】
【MDL】
MFCD04027122
【English Synonyms】
【Formula】
C19 H22 N4 O S2
【MolWeight】
386.542
【Inchi】
InChI=1S/C19H22N4OS2/c1-5-23-18(15-7-6-8-25-15)21-22-19(23)26-11-16(24)20-17-13(3)9-12(2)10-14(17)4/h6-10H,5,11H2,1-4H3,(H,20,24)
【InChIKey】
InChIKey=YDFAUKUIKUSGDO-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2c(cc(cc2C)C)C)c3cccs3
【MOL File】
2-((4-ETHYL-5-(2-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ETHYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-MESITYLACETAMIDE.cml