[4-(4-cyanophenyl)phenyl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-3-pyridinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-(1,3-benzothiazol-2-yl)pyridine-3-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)nicotinic acid [4-(4-cyanophenyl)phenyl] ester Formula: C26H15N3O2S MolecularWeight: 433.4812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C26H15N3O2S/c27-16-17-7-9-18(10-8-17)19-11-13-20(14-12-19)31-26(30)21-4-3-15-28-24(21)25-29-22-5-1-2-6-23(22)32-25/h1-15H