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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)F)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)F)C2=NN=C(O2)SCC#CCOC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H12FN3O5S/c20-15-7-3-5-13(11-15)17-21-22-19(28-17)29-10-2-1-9-27-18(24)14-6-4-8-16(12-14)23(25)26/h3-8,11-12H,9-10H2