3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid

Systemtic Name: 3-(phenylmethylsulfanyl)pyridine-4-carboxylic acid Openeye Name: 3-benzylsulfanylpyridine-4-carboxylic acid CAS Name: 3-(phenylmethylthio)-4-pyridinecarboxylic acid IUPAC Name: 3-benzylsulfanylpyridine-4-carboxylic acid Traditional Name: 3-(benzylthio)isonicotinic acid Formula: C13H11NO2S MolecularWeight: 245.29694

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(C=CN=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(C=CN=C2)C(=O)O

InChI

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