3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-5-(2-furyl)-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-4-ethyl-5-(2-furanyl)-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-4-ethyl-5-(furan-2-yl)-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-4-ethyl-5-(2-furyl)-1,2,4-triazole Formula: C20H25N3O2S MolecularWeight: 371.4964

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(C)(C)C)C3=CC=CO3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(C)(C)C)C3=CC=CO3

InChI

InChI=1S/C20H25N3O2S/c1-5-23-18(17-7-6-12-25-17)21-22-19(23)26-14-13-24-16-10-8-15(9-11-16)20(2,3)4/h6-12H,5,13-14H2,1-4H3