577983-00-7
1-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)-2-NAPHTHOL
Name1-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)-2-NAPHTHOL
1Identification
【Name】
1-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)-2-NAPHTHOL
【CAS】
【MDL】
MFCD04021679
【English Synonyms】
【Formula】
C19 H13 F N4 O S
【MolWeight】
364.403
【Inchi】
InChI=1S/C19H13FN4OS/c20-14-8-5-13(6-9-14)18-22-23-19(26)24(18)21-11-16-15-4-2-1-3-12(15)7-10-17(16)25/h1-11,25H,(H,23,26)/b21-11+
【InChIKey】
InChIKey=WFDYNILXKVZQRT-SRZZPIQSSA-N
【SMILES】
c1ccc2c(c1)ccc(c2/C=N/n3c(nnc3S)c4ccc(cc4)F)O
【MOL File】
1-(((3-(4-F-PH)-5-ME….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(((3-(4-F-PH)-5-MERCAPTO-4H-1,2,4-TRIAZOL-4-YL)IMINO)METHYL)-2-NAPHTHOL.cml