3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole

Systemtic Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Openeye Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole CAS Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazole IUPAC Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylsulfanyl]-1,2,4-triazole Traditional Name: 3-(4-tert-butylphenyl)-4-cyclopentyl-5-[2-(4-methoxyphenoxy)ethylthio]-1,2,4-triazole Formula: C26H33N3O2S MolecularWeight: 451.62412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCOC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3CCCC3)SCCOC4=CC=C(C=C4)OC

InChI

InChI=1S/C26H33N3O2S/c1-26(2,3)20-11-9-19(10-12-20)24-27-28-25(29(24)21-7-5-6-8-21)32-18-17-31-23-15-13-22(30-4)14-16-23/h9-16,21H,5-8,17-18H2,1-4H3