[(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(2S)-1-(4-methylphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(p-tolyl)ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methylphenyl)-1-oxopropan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-2-keto-1-methyl-2-(p-tolyl)ethyl] ester Formula: C19H17N3O3 MolecularWeight: 335.35658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)OC(=O)C2=CC=C(C=C2)N3C=NC=N3

InChI

InChI=1S/C19H17N3O3/c1-13-3-5-15(6-4-13)18(23)14(2)25-19(24)16-7-9-17(10-8-16)22-12-20-11-21-22/h3-12,14H,1-2H3/t14-/m0/s1