3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazole

Systemtic Name: 3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-5-(4-tert-butylphenyl)-4-(p-tolyl)-1,2,4-triazole Formula: C29H33N3O MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C29H33N3O/c1-6-7-20-33-26-18-12-23(13-19-26)28-31-30-27(32(28)25-16-8-21(2)9-17-25)22-10-14-24(15-11-22)29(3,4)5/h8-19H,6-7,20H2,1-5H3