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

Systemtic Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate Openeye Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester IUPAC Name: 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]but-2-ynyl 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid 4-[(5-phenyl-1,3,4-oxadiazol-2-yl)thio]but-2-ynyl ester Formula: C20H16N2O4S MolecularWeight: 380.41704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N2O4S/c1-24-17-11-9-16(10-12-17)19(23)25-13-5-6-14-27-20-22-21-18(26-20)15-7-3-2-4-8-15/h2-4,7-12H,13-14H2,1H3