2-[3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid

Systemtic Name: 2-[3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Openeye Name: 2-[3-[(5-isopropyl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid CAS Name: 2-[3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid IUPAC Name: 2-[3-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propoxy]benzoic acid Traditional Name: 2-[3-[(5-isopropyl-1,3,4-oxadiazol-2-yl)thio]propoxy]benzoic acid Formula: C15H18N2O4S MolecularWeight: 322.37942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(O1)SCCCOC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(O1)SCCCOC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H18N2O4S/c1-10(2)13-16-17-15(21-13)22-9-5-8-20-12-7-4-3-6-11(12)14(18)19/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,18,19)