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

Systemtic Name: (4-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone CAS Name: (4-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butylphenyl)-[5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]methanone Formula: C21H22ClN3O2 MolecularWeight: 383.87128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)N2C(=NC(=N2)OCC)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C21H22ClN3O2/c1-3-5-7-15-10-12-16(13-11-15)20(26)25-19(23-21(24-25)27-4-2)17-8-6-9-18(22)14-17/h6,8-14H,3-5,7H2,1-2H3