2-[(3-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: 2-[(3-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: 2-[(3-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(3-cyanophenyl)methylthio]-3-pyridinecarboxylate IUPAC Name: 2-[(3-cyanophenyl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(3-cyanobenzyl)thio]nicotinate Formula: C14H9N2O2S- MolecularWeight: 269.29846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=C(C=CC=N2)C(=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=C(C=CC=N2)C(=O)[O-])C#N

InChI

InChI=1S/C14H10N2O2S/c15-8-10-3-1-4-11(7-10)9-19-13-12(14(17)18)5-2-6-16-13/h1-7H,9H2,(H,17,18)/p-1