587007-38-3
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DICHLOROPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DICHLOROPHENYL)ACETAMIDE
FormulaC18 H15 Cl2 N5 O S
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DICHLOROPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04032349
【English Synonyms】
【Formula】
C18 H15 Cl2 N5 O S
【MolWeight】
420.323
【Inchi】
InChI=1S/C18H15Cl2N5OS/c1-2-9-25-17(14-5-3-4-8-21-14)23-24-18(25)27-11-16(26)22-15-10-12(19)6-7-13(15)20/h2-8,10H,1,9,11H2,(H,22,26)
【InChIKey】
InChIKey=LINQVRZIGLYFQF-UHFFFAOYSA-N
【SMILES】
C=CCn1c(nnc1SCC(=O)Nc2cc(ccc2Cl)Cl)c3ccccn3
【MOL File】
2-[[4-ALLYL-5-(2-PYR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(2,5-DICHLOROPHENYL)ACETAMIDE.cml