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

Systemtic Name: (E)-4-methoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4-methoxy-4-methyl-1-(o-tolyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4-methoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4-methoxy-4-methyl-1-(2-methylphenyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4-methoxy-4-methyl-1-(o-tolyl)-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C16H19N3O2 MolecularWeight: 285.34096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC=C1/C=C(\C(=O)C(C)(C)OC)/N2C=NC=N2

InChI

InChI=1S/C16H19N3O2/c1-12-7-5-6-8-13(12)9-14(19-11-17-10-18-19)15(20)16(2,3)21-4/h5-11H,1-4H3/b14-9+