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

Systemtic Name: 4-[5-(2-phenoxypropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid Openeye Name: 4-[5-(2-phenoxypropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid CAS Name: 4-[5-[(2-phenoxypropylthio)methyl]-1,3,4-oxadiazol-2-yl]benzoic acid IUPAC Name: 4-[5-(2-phenoxypropylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzoic acid Traditional Name: 4-[5-[(2-phenoxypropylthio)methyl]-1,3,4-oxadiazol-2-yl]benzoic acid Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC(CSCC1=NN=C(O1)C2=CC=C(C=C2)C(=O)O)OC3=CC=CC=C3

InChI

InChI=1S/C19H18N2O4S/c1-13(24-16-5-3-2-4-6-16)11-26-12-17-20-21-18(25-17)14-7-9-15(10-8-14)19(22)23/h2-10,13H,11-12H2,1H3,(H,22,23)