3-[(4-chloro-2-methylphenoxy)methyl]-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
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Product Code | F642209 |
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Product Name | 3-[(4-chloro-2-methylphenoxy)methyl]-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione |
Other Names | 5-(4-Chloro-2-methyl-phenoxymethyl)-4-(4-ethoxy-phenyl)-4H-[1,2,4]triazole-3-thiol |
CAS | 748793-44-4 |
Purity | 95% |
Molecular weight | 375.87 |
IUPAC Name | 3-[(4-chloro-2-methylphenoxy)methyl]-4-(4-ethoxyphenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione |
SMILES | CCOC1=CC=C(C=C1)N1C(=S)NN=C1COC1=CC=C(Cl)C=C1C |
INCHI Code | InChI=1S/C18H18ClN3O2S/c1-3-23-15-7-5-14(6-8-15)22-17(20-21-18(22)25)11-24-16-9-4-13(19)10-12(16)2/h4-10H,3,11H2,1-2H3,(H,21,25) |
Asymmetric atoms | 0 |
LogP | 5.045152 |
H bond acceptors | 3 |
H bond donors | 1 |
fsp3 | 0.22222222 |
Concept Codes | Phenyl, Ether, Heterocycle, Heteroaromatic, Chloro, Halo, Methyl, Tolyl, 5-Membered heteroaromatic, 5-Membered heterocycle, Disubstituted (3,4)- monochlorobenzene, Monochlorobenzene, Cyclic, Aromatic, 1,2,4-Triazole |