712270-97-8
2-([5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
Name2-([5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
1Identification
【Name】
2-([5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE
【CAS】
【MDL】
MFCD03086560
【English Synonyms】
【Formula】
C18 H13 N5 O3 S
【MolWeight】
379.399
【Inchi】
InChI=1S/C18H13N5O3S/c24-15(16-9-14(22-26-16)12-5-2-1-3-6-12)11-27-18-21-20-17(25)23(18)13-7-4-8-19-10-13/h1-10H,11H2,(H,20,25)
【InChIKey】
InChIKey=PLRYPBKVAPGIID-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(on2)C(=O)CSc3nnc(n3c4cccnc4)O
【MOL File】
2-([5-HYDROXY-4-(3-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE.cml