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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-ethyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-ethyl-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-ethyl-1,2,4-triazole Formula: C22H33N3OS MolecularWeight: 387.58192

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(C)(C)C)C3CCCCC3

Isomeric SMILES

CCN1C(=NN=C1SCCOC2=CC=C(C=C2)C(C)(C)C)C3CCCCC3

InChI

InChI=1S/C22H33N3OS/c1-5-25-20(17-9-7-6-8-10-17)23-24-21(25)27-16-15-26-19-13-11-18(12-14-19)22(2,3)4/h11-14,17H,5-10,15-16H2,1-4H3