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

Systemtic Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butoxyphenyl)-[5-(2-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butoxyphenyl)-[5-(2-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=C3Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC=CC=C3Cl

InChI

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