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

Systemtic Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]pentan-1-one Openeye Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]pentan-1-one CAS Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]-1-pentanone IUPAC Name: 1-[3-(2-ethoxyethoxy)-5-(4-methylphenyl)-1,2,4-triazol-1-yl]pentan-1-one Traditional Name: 1-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]pentan-1-one Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCC(=O)N1C(=NC(=N1)OCCOCC)C2=CC=C(C=C2)C

InChI

InChI=1S/C18H25N3O3/c1-4-6-7-16(22)21-17(15-10-8-14(3)9-11-15)19-18(20-21)24-13-12-23-5-2/h8-11H,4-7,12-13H2,1-3H3