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

Systemtic Name: 3-[[5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Openeye Name: 3-[[5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid CAS Name: 3-[[5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid IUPAC Name: 3-[[5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Traditional Name: 3-[[5-(3-cyanophenyl)-1,3,4-thiadiazol-2-yl]amino]benzoic acid Formula: C16H10N4O2S MolecularWeight: 322.3412

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NN=C(S2)NC3=CC=CC(=C3)C(=O)O)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NN=C(S2)NC3=CC=CC(=C3)C(=O)O)C#N

InChI

InChI=1S/C16H10N4O2S/c17-9-10-3-1-4-11(7-10)14-19-20-16(23-14)18-13-6-2-5-12(8-13)15(21)22/h1-8H,(H,18,20)(H,21,22)