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

Systemtic Name: 4-[5-(4-phenoxybutylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(4-phenoxybutylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid CAS Name: 4-[5-[(4-phenoxybutylthio)methyl]-1,3,4-oxadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(4-phenoxybutylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[(4-phenoxybutylthio)methyl]-1,3,4-oxadiazol-2-yl]benzoic acid Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCCCCSCC2=NN=C(O2)C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)OCCCCSCC2=NN=C(O2)C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20N2O4S/c23-20(24)16-10-8-15(9-11-16)19-22-21-18(26-19)14-27-13-5-4-12-25-17-6-2-1-3-7-17/h1-3,6-11H,4-5,12-14H2,(H,23,24)