pyridin-4-ylmethyl 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: pyridin-4-ylmethyl 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: 4-pyridylmethyl 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid pyridin-4-ylmethyl ester IUPAC Name: pyridin-4-ylmethyl 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid 4-pyridylmethyl ester Formula: C20H14N2O2S MolecularWeight: 346.40236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC=NC=C3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SC2=CC=CC=C2C(=O)OCC3=CC=NC=C3

InChI

InChI=1S/C20H14N2O2S/c21-13-16-5-1-3-7-18(16)25-19-8-4-2-6-17(19)20(23)24-14-15-9-11-22-12-10-15/h1-12H,14H2