2-(phenylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(phenylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-benzylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylmethylthio)-3-pyridinecarboxylate IUPAC Name: 2-benzylsulfanylpyridine-3-carboxylate Traditional Name: 2-(benzylthio)nicotinate Formula: C13H10NO2S- MolecularWeight: 244.289

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11NO2S/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h1-8H,9H2,(H,15,16)/p-1