(2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one

Systemtic Name: (2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one Openeye Name: (2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one CAS Name: (2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)-3-pentanone IUPAC Name: (2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one Traditional Name: (2S)-4,4-dimethyl-1-phenyl-2-(1,2,4-triazol-1-yl)pentan-3-one Formula: C15H19N3O MolecularWeight: 257.33086

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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@H](CC1=CC=CC=C1)N2C=NC=N2

InChI

InChI=1S/C15H19N3O/c1-15(2,3)14(19)13(18-11-16-10-17-18)9-12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3/t13-/m0/s1