587002-83-3
5-(4-FLUOROPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(4-FLUOROPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(4-FLUOROPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD04031379
【English Synonyms】
【Formula】
C19 H13 F N4 S
【MolWeight】
348.404
【Inchi】
InChI=1S/C19H13FN4S/c20-16-10-8-14(9-11-16)18-22-23-19(25)24(18)21-12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12H,(H,23,25)/b21-12+
【InChIKey】
InChIKey=JLKQCHMLOOVUOF-CIAFOILYSA-N
【SMILES】
c1ccc2c(c1)cccc2/C=N/n3c(nnc3S)c4ccc(cc4)F
【MOL File】
5-(4-FLUOROPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(4-FLUOROPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml