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

Systemtic Name: [(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-methoxyphenyl)-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-2-(4-methoxyphenyl)-1-methyl-ethyl] ester Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O4/c1-13(18(23)14-5-9-17(25-2)10-6-14)26-19(24)15-3-7-16(8-4-15)22-12-20-11-21-22/h3-13H,1-2H3/t13-/m0/s1