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

Systemtic Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Openeye Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 4-[[5-(2-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=C(C(=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C19H12BrN3O5S/c20-16-6-2-1-5-15(16)17-21-22-19(28-17)29-12-4-3-11-27-18(24)13-7-9-14(10-8-13)23(25)26/h1-2,5-10H,11-12H2