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

Systemtic Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate Openeye Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid 4-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H12ClN3O5S MolecularWeight: 429.83368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN3O5S/c20-14-7-5-6-13(12-14)17-21-22-19(28-17)29-11-4-3-10-27-18(24)15-8-1-2-9-16(15)23(25)26/h1-2,5-9,12H,10-11H2