2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]ethanoic acid Openeye Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid CAS Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid IUPAC Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid Traditional Name: 2-[5-(4-cyanophenyl)-1,3,4-thiadiazol-2-yl]acetic acid Formula: C11H7N3O2S MolecularWeight: 245.25718

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)C2=NN=C(S2)CC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)C2=NN=C(S2)CC(=O)O

InChI

InChI=1S/C11H7N3O2S/c12-6-7-1-3-8(4-2-7)11-14-13-9(17-11)5-10(15)16/h1-4H,5H2,(H,15,16)