(4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C21H22ClN3O3 MolecularWeight: 399.87068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O3/c1-3-5-13-28-18-11-9-15(10-12-18)20(26)25-19(23-21(24-25)27-4-2)16-7-6-8-17(22)14-16/h6-12,14H,3-5,13H2,1-2H3