pyridin-2-ylmethyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate

Systemtic Name: pyridin-2-ylmethyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Openeye Name: 2-pyridylmethyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate CAS Name: 2-[(4-cyanophenyl)methylthio]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-[(4-cyanophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(4-cyanobenzyl)thio]benzoic acid 2-pyridylmethyl ester Formula: C21H16N2O2S MolecularWeight: 360.42894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC=N2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC=N2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H16N2O2S/c22-13-16-8-10-17(11-9-16)15-26-20-7-2-1-6-19(20)21(24)25-14-18-5-3-4-12-23-18/h1-12H,14-15H2