4-[3-(4-fluorophenyl)-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid

Systemtic Name: 4-[3-(4-fluorophenyl)-5-phenylazanyl-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Openeye Name: 4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid CAS Name: 4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid IUPAC Name: 4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Traditional Name: 4-[5-anilino-3-(4-fluorophenyl)-1,3,4-thiadiazol-3-ium-2-yl]benzoic acid Formula: C21H15FN3O2S+ MolecularWeight: 392.426103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C(C=C1)NC2=N[N+](=C(S2)C3=CC=C(C=C3)C(=O)O)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H14FN3O2S/c22-16-10-12-18(13-11-16)25-19(14-6-8-15(9-7-14)20(26)27)28-21(24-25)23-17-4-2-1-3-5-17/h1-13H,(H-,23,24,26,27)/p+1