1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole

Systemtic Name: 1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole Openeye Name: 1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole CAS Name: 1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)-2-oxiranyl]methyl]-1,2,4-triazole IUPAC Name: 1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole Traditional Name: 1-[[3-(4-tert-butylphenyl)-2-(4-chlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole Formula: C21H22ClN3O MolecularWeight: 367.87188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2C(O2)(CN3C=NC=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H22ClN3O/c1-20(2,3)16-6-4-15(5-7-16)19-21(26-19,12-25-14-23-13-24-25)17-8-10-18(22)11-9-17/h4-11,13-14,19H,12H2,1-3H3