1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]tetradecan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-1-tetradecanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(2-methylphenyl)-1,2,4-triazol-1-yl]tetradecan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]tetradecan-1-one Formula: C27H43N3O3 MolecularWeight: 457.64862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=CC=C2C

Isomeric SMILES

CCCCCCCCCCCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=CC=C2C

InChI

InChI=1S/C27H43N3O3/c1-4-6-7-8-9-10-11-12-13-14-15-20-25(31)30-26(24-19-17-16-18-23(24)3)28-27(29-30)33-22-21-32-5-2/h16-19H,4-15,20-22H2,1-3H3