3-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate

Systemtic Name: 3-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Openeye Name: 3-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate IUPAC Name: 3-[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[5-(4-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoate Formula: C18H14N3O4S- MolecularWeight: 368.38646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C2=NN=C(O2)SCC3=CC=CC(=C3)C(=O)[O-]

InChI

InChI=1S/C18H15N3O4S/c1-11(22)19-15-7-5-13(6-8-15)16-20-21-18(25-16)26-10-12-3-2-4-14(9-12)17(23)24/h2-9H,10H2,1H3,(H,19,22)(H,23,24)/p-1