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

Systemtic Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C19H15N3O4S MolecularWeight: 381.4051

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3

InChI

InChI=1S/C19H15N3O4S/c1-24-16-6-4-15(5-7-16)18(23)25-12-2-3-13-27-19-22-21-17(26-19)14-8-10-20-11-9-14/h4-11H,12-13H2,1H3