4-[5-(4-carboxylato-3-phenyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-benzoate

Systemtic Name: 4-[5-(4-carboxylato-3-phenyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-benzoate Openeye Name: 4-[5-(4-carboxylato-3-phenyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-benzoate CAS Name: 4-[5-(4-carboxylato-3-phenylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbenzoate IUPAC Name: 4-[5-(4-carboxylato-3-phenylphenyl)-1,3,4-thiadiazol-2-yl]-2-phenylbenzoate Traditional Name: 4-[5-(4-carboxylato-3-phenyl-phenyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-benzoate Formula: C28H16N2O4S-2 MolecularWeight: 476.50264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=NN=C(S3)C4=CC(=C(C=C4)C(=O)[O-])C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC(=C2)C3=NN=C(S3)C4=CC(=C(C=C4)C(=O)[O-])C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H18N2O4S/c31-27(32)21-13-11-19(15-23(21)17-7-3-1-4-8-17)25-29-30-26(35-25)20-12-14-22(28(33)34)24(16-20)18-9-5-2-6-10-18/h1-16H,(H,31,32)(H,33,34)/p-2