pyridin-2-ylmethyl 2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: pyridin-2-ylmethyl 2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-pyridylmethyl 2-(2-pyridylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2-pyridinylmethylthio)-3-pyridinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(pyridin-2-ylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2-pyridylmethylthio)nicotinic acid 2-pyridylmethyl ester Formula: C18H15N3O2S MolecularWeight: 337.3956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC=N3

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=C(N=CC=C2)SCC3=CC=CC=N3

InChI

InChI=1S/C18H15N3O2S/c22-18(23-12-14-6-1-3-9-19-14)16-8-5-11-21-17(16)24-13-15-7-2-4-10-20-15/h1-11H,12-13H2