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

Systemtic Name: 3-(4-butoxyphenyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-4,5-bis(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-4,5-bis(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-4,5-bis(p-tolyl)-1,2,4-triazole Formula: C26H27N3O MolecularWeight: 397.51208

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O/c1-4-5-18-30-24-16-12-22(13-17-24)26-28-27-25(21-10-6-19(2)7-11-21)29(26)23-14-8-20(3)9-15-23/h6-17H,4-5,18H2,1-3H3