557072-68-1
2-((4-ET-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
Name2-((4-ET-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-((4-ET-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD03657839
【English Synonyms】
【Formula】
C17 H18 N4 O S2
【MolWeight】
358.488
【Inchi】
InChI=1S/C17H18N4OS2/c1-3-21-16(14-8-5-9-23-14)19-20-17(21)24-11-15(22)18-13-7-4-6-12(2)10-13/h4-10H,3,11H2,1-2H3,(H,18,22)
【InChIKey】
InChIKey=QLZSFQPGGCWHEV-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1SCC(=O)Nc2cccc(c2)C)c3cccs3
【MOL File】
2-((4-ET-5-(2-THIENY….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-ET-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-METHYLPHENYL)ACETAMIDE.cml