578753-87-4
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(5-CHLORO-2-METHYLPHENYL)ACETAMIDE
Name2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(5-CHLORO-2-METHYLPHENYL)ACETAMIDE
1Identification
【Name】
2-[[4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL]-N-(5-CHLORO-2-METHYLPHENYL)ACETAMIDE
【CAS】
【MDL】
MFCD04024766
【English Synonyms】
【Formula】
C19 H18 Cl N5 O S
【MolWeight】
399.904
【Inchi】
InChI=1S/C19H18ClN5OS/c1-3-10-25-18(15-6-4-5-9-21-15)23-24-19(25)27-12-17(26)22-16-11-14(20)8-7-13(16)2/h3-9,11H,1,10,12H2,2H3,(H,22,26)
【InChIKey】
InChIKey=FTUWVCHZRQESST-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1NC(=O)CSc2nnc(n2CC=C)c3ccccn3)Cl
【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-(5-CHLORO-2-METHYLPHENYL)ACETAMIDE.cml