4-pyridin-4-ylsulfanylbenzoic acid

Systemtic Name: 4-pyridin-4-ylsulfanylbenzoic acid Openeye Name: 4-(4-pyridylsulfanyl)benzoic acid CAS Name: 4-(pyridin-4-ylthio)benzoic acid IUPAC Name: 4-pyridin-4-ylsulfanylbenzoic acid Traditional Name: 4-(4-pyridylthio)benzoic acid Formula: C12H9NO2S MolecularWeight: 231.27036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)SC2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)SC2=CC=NC=C2

InChI

InChI=1S/C12H9NO2S/c14-12(15)9-1-3-10(4-2-9)16-11-5-7-13-8-6-11/h1-8H,(H,14,15)