(E)-4-ethoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-4-ethoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-ethoxy-4-methyl-1-(o-tolyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-ethoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-ethoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-ethoxy-4-methyl-1-(o-tolyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C17H21N3O2 MolecularWeight: 299.36754

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)(C)C(=O)C(=CC1=CC=CC=C1C)N2C=NC=N2

Isomeric SMILES

CCOC(C)(C)C(=O)/C(=C\C1=CC=CC=C1C)/N2C=NC=N2

InChI

InChI=1S/C17H21N3O2/c1-5-22-17(3,4)16(21)15(20-12-18-11-19-20)10-14-9-7-6-8-13(14)2/h6-12H,5H2,1-4H3/b15-10+