3-[(4-chloranylphenoxy)methyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole

Systemtic Name: 3-[(4-chloranylphenoxy)methyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Openeye Name: 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole CAS Name: 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylphenyl)methylthio]-4-ethyl-1,2,4-triazole IUPAC Name: 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylphenyl)methylsulfanyl]-4-ethyl-1,2,4-triazole Traditional Name: 3-[(4-chlorophenoxy)methyl]-5-[(2,5-dimethylbenzyl)thio]-4-ethyl-1,2,4-triazole Formula: C20H22ClN3OS MolecularWeight: 387.92618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)C)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(C=CC(=C2)C)C)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3OS/c1-4-24-19(12-25-18-9-7-17(21)8-10-18)22-23-20(24)26-13-16-11-14(2)5-6-15(16)3/h5-11H,4,12-13H2,1-3H3