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

Systemtic Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate Openeye Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 4-[[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H12BrN3O5S MolecularWeight: 474.28468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O5S/c20-15-8-6-13(7-9-15)17-21-22-19(28-17)29-11-2-1-10-27-18(24)14-4-3-5-16(12-14)23(25)26/h3-9,12H,10-11H2