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

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chloranylbenzoate Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid 4-[[5-(4-nitrophenyl)-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(=CC=C1C2=NN=C(O2)SCC#CCOC(=O)C3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H12ClN3O5S/c20-15-7-3-14(4-8-15)18(24)27-11-1-2-12-29-19-22-21-17(28-19)13-5-9-16(10-6-13)23(25)26/h3-10H,11-12H2