3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole

Systemtic Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Openeye Name: 3-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole CAS Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylthio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole IUPAC Name: 3-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Traditional Name: 3-[(4,5-dimethoxy-2-methyl-benzyl)thio]-4-ethyl-5-(4-methoxyphenyl)-1,2,4-triazole Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=C(C=C2C)OC)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=C(C=C2C)OC)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O3S/c1-6-24-20(15-7-9-17(25-3)10-8-15)22-23-21(24)28-13-16-12-19(27-5)18(26-4)11-14(16)2/h7-12H,6,13H2,1-5H3