2-phenyl-3-pyridin-3-ylsulfanyl-benzoic acid

Systemtic Name: 2-phenyl-3-pyridin-3-ylsulfanyl-benzoic acid Openeye Name: 2-phenyl-3-(3-pyridylsulfanyl)benzoic acid CAS Name: 2-phenyl-3-(3-pyridinylthio)benzoic acid IUPAC Name: 2-phenyl-3-pyridin-3-ylsulfanylbenzoic acid Traditional Name: 2-phenyl-3-(3-pyridylthio)benzoic acid Formula: C18H13NO2S MolecularWeight: 307.36632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=CC=C2SC3=CN=CC=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=CC=C2SC3=CN=CC=C3)C(=O)O

InChI

InChI=1S/C18H13NO2S/c20-18(21)15-9-4-10-16(22-14-8-5-11-19-12-14)17(15)13-6-2-1-3-7-13/h1-12H,(H,20,21)