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

Systemtic Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic 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-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C20H15N3O6S MolecularWeight: 425.4146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H15N3O6S/c1-27-17-10-6-15(7-11-17)19(24)28-12-2-3-13-30-20-22-21-18(29-20)14-4-8-16(9-5-14)23(25)26/h4-11H,12-13H2,1H3