70059-80-2
4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
Name4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04639763
【English Synonyms】
【Formula】
C23 H16 N4 S
【MolWeight】
380.473
【Inchi】
InChI=1S/C23H16N4S/c28-23-26-25-22(27(23)17-11-5-2-6-12-17)19-15-21(16-9-3-1-4-10-16)24-20-14-8-7-13-18(19)20/h1-15H,(H,26,28)
【InChIKey】
InChIKey=KBPNGURCBJPKSO-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2cc(c3ccccc3n2)c4nnc(n4c5ccccc5)S
【MOL File】
4-PHENYL-5-(2-PHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:5.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-PHENYL-5-(2-PHENYLQUINOLIN-4-YL)-4H-1,2,4-TRIAZOLE-3-THIOL.cml