[(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [(1S)-2-(dimethylamino)-2-oxidanylidene-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenyl-ethyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [(1S)-2-(dimethylamino)-2-keto-1-phenyl-ethyl] ester Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3/c1-22(2)18(24)17(14-6-4-3-5-7-14)26-19(25)15-8-10-16(11-9-15)23-13-20-12-21-23/h3-13,17H,1-2H3/t17-/m0/s1