477709-79-8
2-(METHYLSULFANYL)-5-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOL-4-YL]-1,3,4-OXADIAZOLE
Name2-(METHYLSULFANYL)-5-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOL-4-YL]-1,3,4-OXADIAZOLE
1Identification
【Name】
2-(METHYLSULFANYL)-5-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOL-4-YL]-1,3,4-OXADIAZOLE
【CAS】
【MDL】
MFCD02083340
【English Synonyms】
【Formula】
C16 H13 N5 O S
【MolWeight】
323.379
【Inchi】
InChI=1S/C16H13N5OS/c1-23-16-19-18-14(22-16)13-11-17-21(12-7-3-2-4-8-12)15(13)20-9-5-6-10-20/h2-11H,1H3
【InChIKey】
InChIKey=JYJVNPPFCYHZAK-UHFFFAOYSA-N
【SMILES】
CSc1nnc(o1)c2cnn(c2n3cccc3)c4ccccc4
【MOL File】
2-(METHYLSULFANYL)-5….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(METHYLSULFANYL)-5-[1-PHENYL-5-(1H-PYRROL-1-YL)-1H-PYRAZOL-4-YL]-1,3,4-OXADIAZOLE.cml