pyridin-2-ylmethyl 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: 2-pyridylmethyl 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid 2-pyridylmethyl ester Formula: C18H14N2O2S MolecularWeight: 322.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C18H14N2O2S/c21-18(22-13-14-7-4-5-11-19-14)16-10-6-12-20-17(16)23-15-8-2-1-3-9-15/h1-12H,13H2