4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate

Systemtic Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate Openeye Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 4-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H12FN3O5S MolecularWeight: 413.379083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C19H12FN3O5S/c20-14-9-7-13(8-10-14)17-21-22-19(28-17)29-12-4-3-11-27-18(24)15-5-1-2-6-16(15)23(25)26/h1-2,5-10H,11-12H2