[4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(1,2,4-triazol-1-yl)benzoate

Systemtic Name: [4-(4-fluorophenyl)-4-oxidanylidene-butyl] 4-(1,2,4-triazol-1-yl)benzoate Openeye Name: [4-(4-fluorophenyl)-4-oxo-butyl] 4-(1,2,4-triazol-1-yl)benzoate CAS Name: 4-(1,2,4-triazol-1-yl)benzoic acid [4-(4-fluorophenyl)-4-oxobutyl] ester IUPAC Name: [4-(4-fluorophenyl)-4-oxobutyl] 4-(1,2,4-triazol-1-yl)benzoate Traditional Name: 4-(1,2,4-triazol-1-yl)benzoic acid [4-(4-fluorophenyl)-4-keto-butyl] ester Formula: C19H16FN3O3 MolecularWeight: 353.347043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)N3C=NC=N3

Isomeric SMILES

C1=CC(=CC=C1C(=O)OCCCC(=O)C2=CC=C(C=C2)F)N3C=NC=N3

InChI

InChI=1S/C19H16FN3O3/c20-16-7-3-14(4-8-16)18(24)2-1-11-26-19(25)15-5-9-17(10-6-15)23-13-21-12-22-23/h3-10,12-13H,1-2,11H2