578004-41-8
2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(1-NAPHTHYL)ACETAMIDE
Name2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(1-NAPHTHYL)ACETAMIDE
1Identification
【Name】
2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(1-NAPHTHYL)ACETAMIDE
【CAS】
【MDL】
MFCD04023746
【English Synonyms】
【Formula】
C21 H18 N4 O S2
【MolWeight】
406.532
【Inchi】
InChI=1S/C21H18N4OS2/c1-2-12-25-20(18-11-6-13-27-18)23-24-21(25)28-14-19(26)22-17-10-5-8-15-7-3-4-9-16(15)17/h2-11,13H,1,12,14H2,(H,22,26)
【InChIKey】
InChIKey=LPWPQUSNEPSJKX-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2cccc3c2cccc3)c4cccs4
【MOL File】
2-((4-ALLYL-5-(2-THI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(1-NAPHTHYL)ACETAMIDE.cml