764711-87-7
5-(3-ETHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
Name5-(3-ETHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
1Identification
【Name】
5-(3-ETHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL
【CAS】
【MDL】
MFCD05721136
【English Synonyms】
【Formula】
C21 H18 N4 O S
【MolWeight】
374.466
【Inchi】
InChI=1S/C21H18N4OS/c1-2-26-18-11-6-9-16(13-18)20-23-24-21(27)25(20)22-14-17-10-5-8-15-7-3-4-12-19(15)17/h3-14H,2H2,1H3,(H,24,27)/b22-14+
【InChIKey】
InChIKey=PQXKEHSBOURJJR-HYARGMPZSA-N
【SMILES】
CCOc1cccc(c1)c2nnc(n2/N=C/c3cccc4c3cccc4)S
【MOL File】
5-(3-ETHOXYPHENYL)-4….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-(3-ETHOXYPHENYL)-4-((1-NAPHTHYLMETHYLENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL.cml