477734-76-2
2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE
Name2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE
FormulaC21 H20 Br N5 O2 S
1Identification
【Name】
2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE
【CAS】
【MDL】
MFCD02223244
【English Synonyms】
【Formula】
C21 H20 Br N5 O2 S
【MolWeight】
486.392
【Inchi】
InChI=1S/C21H20BrN5O2S/c1-14(2)12-27-20(16-6-8-17(22)9-7-16)25-26-21(27)30-13-19(29)24-23-11-15-4-3-5-18(28)10-15/h3-11,28H,1,12-13H2,2H3,(H,24,29)/b23-11+
【InChIKey】
InChIKey=PKYLFNKNWNMMGZ-FOKLQQMPSA-N
【SMILES】
CC(=C)Cn1c(nnc1SCC(=O)N/N=C/c2cccc(c2)O)c3ccc(cc3)Br
【MOL File】
2-([5-(4-BROMOPHENYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-([5-(4-BROMOPHENYL)-4-(2-METHYL-2-PROPENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N'-[(E)-(3-HYDROXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE.cml