(E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one

Systemtic Name: (E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Openeye Name: (E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one CAS Name: (E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)-1-penten-3-one IUPAC Name: (E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Traditional Name: (E)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-one Formula: C15H17N3O MolecularWeight: 255.31498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(=CC1=CC=CC=C1)N2C=NC=N2

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h4-11H,1-3H3/b13-9+