1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one

Systemtic Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Openeye Name: 1-[3-butoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]propan-1-one CAS Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]-1-propanone IUPAC Name: 1-[3-butoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]propan-1-one Traditional Name: 1-[3-butoxy-5-(o-tolyl)-1,2,4-triazol-1-yl]propan-1-one Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CC

Isomeric SMILES

CCCCOC1=NN(C(=N1)C2=CC=CC=C2C)C(=O)CC

InChI

InChI=1S/C16H21N3O2/c1-4-6-11-21-16-17-15(19(18-16)14(20)5-2)13-10-8-7-9-12(13)3/h7-10H,4-6,11H2,1-3H3