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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

InChI

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