763139-03-3
4-(4-BROMOPHENYL)-3-((1-NAPHTHYLMETHYL)THIO)-5-PHENYL-4H-1,2,4-TRIAZOLE
Name4-(4-BROMOPHENYL)-3-((1-NAPHTHYLMETHYL)THIO)-5-PHENYL-4H-1,2,4-TRIAZOLE
1Identification
【Name】
4-(4-BROMOPHENYL)-3-((1-NAPHTHYLMETHYL)THIO)-5-PHENYL-4H-1,2,4-TRIAZOLE
【CAS】
【MDL】
MFCD05154682
【English Synonyms】
【Formula】
C25 H18 Br N3 S
【MolWeight】
472.408
【Inchi】
InChI=1S/C25H18BrN3S/c26-21-13-15-22(16-14-21)29-24(19-8-2-1-3-9-19)27-28-25(29)30-17-20-11-6-10-18-7-4-5-12-23(18)20/h1-16H,17H2
【InChIKey】
InChIKey=LDFZFBJHBUZOEV-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)c2nnc(n2c3ccc(cc3)Br)SCc4cccc5c4cccc5
【MOL File】
4-(4-BROMOPHENYL)-3-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:7.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(4-BROMOPHENYL)-3-((1-NAPHTHYLMETHYL)THIO)-5-PHENYL-4H-1,2,4-TRIAZOLE.cml