577998-87-9
4-((9-ANTHRYLMETHYLENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
Name4-((9-ANTHRYLMETHYLENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
1Identification
【Name】
4-((9-ANTHRYLMETHYLENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
【CAS】
【MDL】
MFCD04022741
【English Synonyms】
【Formula】
C23 H15 F N4 S
【MolWeight】
398.464
【Inchi】
InChI=1S/C23H15FN4S/c24-18-11-9-15(10-12-18)22-26-27-23(29)28(22)25-14-21-19-7-3-1-5-16(19)13-17-6-2-4-8-20(17)21/h1-14H,(H,27,29)/b25-14+
【InChIKey】
InChIKey=CSYVDBQSNYNJRL-AFUMVMLFSA-N
【SMILES】
c1ccc2c(c1)cc3ccccc3c2/C=N/n4c(nnc4S)c5ccc(cc5)F
【MOL File】
4-((9-ANTHRYLMETHYLE….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-((9-ANTHRYLMETHYLENE)AMINO)-5-(4-F-PH)-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE.cml