4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl furan-2-carboxylate

Systemtic Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl furan-2-carboxylate Openeye Name: 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl furan-2-carboxylate CAS Name: 2-furancarboxylic acid 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester IUPAC Name: 4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]but-2-ynyl furan-2-carboxylate Traditional Name: furan-2-carboxylic acid 4-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]thio]but-2-ynyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CO3

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)SCC#CCOC(=O)C3=CC=CO3

InChI

InChI=1S/C18H14N2O4S/c1-13-6-8-14(9-7-13)16-19-20-18(24-16)25-12-3-2-10-23-17(21)15-5-4-11-22-15/h4-9,11H,10,12H2,1H3