3,6-bis(phenylmethylsulfanyl)pyridine-2-carboxylic acid

Systemtic Name: 3,6-bis(phenylmethylsulfanyl)pyridine-2-carboxylic acid Openeye Name: 3,6-bis(benzylsulfanyl)pyridine-2-carboxylic acid CAS Name: 3,6-bis(phenylmethylthio)-2-pyridinecarboxylic acid IUPAC Name: 3,6-bis(benzylsulfanyl)pyridine-2-carboxylic acid Traditional Name: 3,6-bis(benzylthio)picolinic acid Formula: C20H17NO2S2 MolecularWeight: 367.48448

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=C(N=C(C=C2)SCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC2=C(N=C(C=C2)SCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H17NO2S2/c22-20(23)19-17(24-13-15-7-3-1-4-8-15)11-12-18(21-19)25-14-16-9-5-2-6-10-16/h1-12H,13-14H2,(H,22,23)