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

Systemtic Name: 3-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Openeye Name: 3-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid CAS Name: 3-[[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid IUPAC Name: 3-[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]benzoic acid Traditional Name: 3-[[[5-(3-acetamidophenyl)-1,3,4-oxadiazol-2-yl]thio]methyl]benzoic acid Formula: C18H15N3O4S MolecularWeight: 369.3944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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