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

Systemtic Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Openeye Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole CAS Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole IUPAC Name: 3-[2-(4-tert-butylphenoxy)ethylsulfanyl]-5-cyclohexyl-4-phenyl-1,2,4-triazole Traditional Name: 3-[2-(4-tert-butylphenoxy)ethylthio]-5-cyclohexyl-4-phenyl-1,2,4-triazole Formula: C26H33N3OS MolecularWeight: 435.62472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCSC2=NN=C(N2C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H33N3OS/c1-26(2,3)21-14-16-23(17-15-21)30-18-19-31-25-28-27-24(20-10-6-4-7-11-20)29(25)22-12-8-5-9-13-22/h5,8-9,12-17,20H,4,6-7,10-11,18-19H2,1-3H3