(4-cyanophenyl)methyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid (4-cyanobenzyl) ester Formula: C20H14N2O2S MolecularWeight: 346.40236

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

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