767305-68-0
4-((4-CHLOROBENZYL)OXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
Name4-((4-CHLOROBENZYL)OXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
FormulaC22 H20 Cl N3 O2 S
1Identification
【Name】
4-((4-CHLOROBENZYL)OXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE
【CAS】
【MDL】
MFCD05720954
【English Synonyms】
【Formula】
C22 H20 Cl N3 O2 S
【MolWeight】
425.938
【Inchi】
InChI=1S/C22H20ClN3O2S/c1-27-20-12-8-19(9-13-20)25-22(29)26-24-14-16-4-10-21(11-5-16)28-15-17-2-6-18(23)7-3-17/h2-14H,15H2,1H3,(H2,25,26,29)/b24-14+
【InChIKey】
InChIKey=XMDZHFHECJKLGJ-ZVHZXABRSA-N
【SMILES】
COc1ccc(cc1)NC(=S)N/N=C/c2ccc(cc2)OCc3ccc(cc3)Cl
【MOL File】
4-((4-CHLOROBENZYL)O….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:6.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-((4-CHLOROBENZYL)OXY)BENZALDEHYDE N-(4-METHOXYPHENYL)THIOSEMICARBAZONE.cml