955966-42-4
5-(1,5-DIPHENYL-1H-PYRAZOL-4-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(1,5-DIPHENYL-1H-PYRAZOL-4-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(1,5-DIPHENYL-1H-PYRAZOL-4-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04125412
【English Synonyms】
【Formula】
C19 H17 N5 S
【MolWeight】
347.444
【Inchi】
InChI=1S/C19H17N5S/c1-2-23-18(21-22-19(23)25)16-13-20-24(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3-13H,2H2,1H3,(H,22,25)
【InChIKey】
InChIKey=PSXAOQALXBDAKI-UHFFFAOYSA-N
【SMILES】
CCn1c(nnc1S)c2cnn(c2c3ccccc3)c4ccccc4
【MOL File】
5-(1,5-DIPHENYL-1H-P….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(1,5-DIPHENYL-1H-PYRAZOL-4-YL)-4-ETHYL-4H-1,2,4-TRIAZOLE-3-THIOL.cml