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

Systemtic Name: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole Openeye Name: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazole CAS Name: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole IUPAC Name: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazole Traditional Name: 3-(4-butoxyphenyl)-5-(4-chlorophenyl)-4-(p-tolyl)-1,2,4-triazole Formula: C25H24ClN3O MolecularWeight: 417.93056

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClN3O/c1-3-4-17-30-23-15-9-20(10-16-23)25-28-27-24(19-7-11-21(26)12-8-19)29(25)22-13-5-18(2)6-14-22/h5-16H,3-4,17H2,1-2H3