3-(1-benzofuran-5-yl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole

Systemtic Name: 3-(1-benzofuran-5-yl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole Openeye Name: 3-(benzofuran-5-yl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole CAS Name: 3-(5-benzofuranyl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole IUPAC Name: 3-(1-benzofuran-5-yl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole Traditional Name: 3-(benzofuran-5-yl)-5-[1-(4-chlorophenyl)cyclobutyl]-4-methyl-1,2,4-triazole Formula: C21H18ClN3O MolecularWeight: 363.84012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1C2(CCC2)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OC=C5

Isomeric SMILES

CN1C(=NN=C1C2(CCC2)C3=CC=C(C=C3)Cl)C4=CC5=C(C=C4)OC=C5

InChI

InChI=1S/C21H18ClN3O/c1-25-19(15-3-8-18-14(13-15)9-12-26-18)23-24-20(25)21(10-2-11-21)16-4-6-17(22)7-5-16/h3-9,12-13H,2,10-11H2,1H3