(4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone

Systemtic Name: (4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Openeye Name: (4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone CAS Name: (4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone IUPAC Name: (4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Traditional Name: (4-butylphenyl)-[3-(2-ethoxyethoxy)-5-(4-ethylphenyl)-1,2,4-triazol-1-yl]methanone Formula: C25H31N3O3 MolecularWeight: 421.53194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3/c1-4-7-8-20-11-15-22(16-12-20)24(29)28-23(21-13-9-19(5-2)10-14-21)26-25(27-28)31-18-17-30-6-3/h9-16H,4-8,17-18H2,1-3H3